11
REGISTRY REGISTRY DictionaryDictionary
22
OverviewOverview
There are many different approaches to There are many different approaches to searching the REGISTRY filesearching the REGISTRY file
CAS RN searchingCAS RN searchingChemical name searchingChemical name searchingMolecular formula searchingMolecular formula searchingStructure searchingStructure searchingBLAST or code match sequence searchingBLAST or code match sequence searching
33
OverviewOverviewBasic search strategies for searching substance Basic search strategies for searching substance
information take advantage of searching information take advantage of searching REGISTRY search fields exactlyREGISTRY search fields exactly
Complete chemical name searching, in the Complete chemical name searching, in the Chemical Name (CN) indexChemical Name (CN) index
Complete molecular formula searching, in the Complete molecular formula searching, in the Molecular Formula (MF) indexMolecular Formula (MF) index
These indexes are clearly identified in REGISTRY records.These indexes are clearly identified in REGISTRY records.
Collectively, these indexes are referred to Collectively, these indexes are referred to
as the as the REGISTRY dictionary
44
OverviewOverviewThe REGISTRY file has additional text-based search The REGISTRY file has additional text-based search
indexes for searching for substance informationindexes for searching for substance information
Element information, derived from the molecular Element information, derived from the molecular formulaformula
Nomenclature information, derived from the Nomenclature information, derived from the chemical nameschemical names
Ring information, derived from the structureRing information, derived from the structure
Collectively, these indexes are referred to Collectively, these indexes are referred to
as the as the REGISTRY dictionary
55
OverviewOverview
REGISTRY DictionaryREGISTRY Dictionary
Most of these indexes are not displayableMost of these indexes are not displayableA complete list of REGISTRY dictionary search A complete list of REGISTRY dictionary search
fields is available fields is available REGISTRY File: dictionary searching (manual)REGISTRY File: dictionary searching (manual) REGISTRY database summary sheet REGISTRY database summary sheet HELP SFIELDS message.HELP SFIELDS message.
Text-search techniques in the REGISTRY Text-search techniques in the REGISTRY dictionary are complementary to structure dictionary are complementary to structure searchingsearching often used to build subsets of the REGISTRY file.often used to build subsets of the REGISTRY file.
66
Chemical Names searchingChemical Names searching
77
Type of Substance Name(s) in Registry:Type of Substance Name(s) in Registry:
Current CA Index Name only Index Names from earlier collectives only Current CA Index Name, plus names from
earlier collectives CA Index Names,plus common names from
literature
Chemical Names searchingChemical Names searching
88
Chemical Names in REGISTRYChemical Names in REGISTRY
Each compound receives a CA Index NameEach compound receives a CA Index Name
Records may contain other namesRecords may contain other names
Major name search fields:Major name search fields: /CN/CN Complete Name Complete Name
Basic indexBasic index Fragments of names Fragments of names
Chemical Names searchingChemical Names searching
99
Advanced TechniquesAdvanced Techniques
Name searching provides retrieval of substances that share Name searching provides retrieval of substances that share namesnames or or name fragmentsname fragments representing a structural feature representing a structural feature or a common origin or relationshipor a common origin or relationship (CAS Index Name)
Chemical Names searchingChemical Names searching
1010
Locate references discussing the use of N-stearyl o-toluenesulfonamide as a plasticizer.
Skills Practice
1111
Locating a CAS RN Using a Chemical Name (/CN)Locating a CAS RN Using a Chemical Name (/CN)
1. Enter REGISTRY1. Enter REGISTRY
2. Determine if the name is in REGISTRY2. Determine if the name is in REGISTRYEXPANDEXPAND
3. Search the name3. Search the nameSEARCHSEARCH
4. Evaluate the answers4. Evaluate the answersD SCAN DISPLAYD SCAN DISPLAY
Chemical Names searchingChemical Names searching
1212
=> FILE REGISTRY
=> E N-STEARYL O-TOLUENESULFONAMIDE/CNCN
E1 1 N-STEAROYLTRYPTOPHAN/CNE2 1 N-STEAROYLUREA/CNE3 0 --> N-STEARYL O-TOLUENESULFONAMIDE/CNE3 0 --> N-STEARYL O-TOLUENESULFONAMIDE/CNE4 1 N-STEARYL-(P-HYDROXYPHENYL)ACETAMIDE/CNE5 1 N-STEARYL-.BETA.-ALANINE/CNE6 1 N-STEARYL-.BETA.-IMINODIPROPIONIC ACID/CNE7 1 N-STEARYL-.OMEGA.-AMINOHEXANECARBOXYLIC
ACID/CNE8 1 N-STEARYL-1,3-DIAMINOPROPANE/CN
ooo
Determine if the name is in the database:Determine if the name is in the database:
Chemical Names searchingChemical Names searching
1313
When a Systematic Name Is Not in REGISTRYWhen a Systematic Name Is Not in REGISTRY
Technique 1:Technique 1:Check name variations in /CNCheck name variations in /CN
Technique 2:Technique 2:Search KEY known fragments in the Basic IndexSearch KEY known fragments in the Basic Index
Technique 3:Technique 3:Search alternative nomenclature for KEY Search alternative nomenclature for KEY
name fragments in the Basic Indexname fragments in the Basic Index
Chemical Names searchingChemical Names searching
1414
=> E N-STEARYL-O-TOLUENESULFONAMIDE/CN
E1 1 N-STEARYL-N-METHYLGLUCAMINE/CNE2 1 N-STEARYL-N-METHYLPIPERIDINIUM IODIDE/CNE3 0 --> N-STEARYL-O-TOLUENESULFONAMIDE/CNE3 0 --> N-STEARYL-O-TOLUENESULFONAMIDE/CNE4 1 N-STEARYL-P-METHOXYCARBONYLBENZAMIDE/CNE5 1 N-STEARYL-P-NITROANILINE/CNE6 1 N-STEARYLACETAMIDE/CNE7 1 N-STEARYLACRYLAMIDE/CNE8 1 N-STEARYLAMINE/CN
ooo
Check name variations:Check name variations:
Chemical Names searchingChemical Names searching
1515
=> S STEARYL AND TOLUENESULFONAMIDEL1 1 ...
Search then known KEY name fragments in Basic Index:Search then known KEY name fragments in Basic Index:
=> D l1 1 IDE
RN 17369-09-4 REGISTRYCN Benzenesulfonamide, 4-methyl-N-octadecyl- (9CI) (CA INDEX NAME)OTHER CA INDEX NAMES:CN p-Toluenesulfonamide, N-octadecyl- (6CI, 8CI)OTHER NAMES:CN N-OctadecyltoluenesulfonamideCN N-StearyltoluenesulfonamideMF C25 H45 N O2 S
(CH2)17
Me
Me SNH
O
O
Desired compound:N-stearyl oo-toluenesulfonamide
Chemical Names searchingChemical Names searching
1616
=> S BENZENESULFONAMIDE AND OCTADECYLL2 254 …
=> D SCAN
IN Benzenesulfonamide, 4-[5-chloro-6-(trifluoromethyl)- 1H-thieno[2,3-d]imidazol-2-yl]-N-octadecyl- (9CI)MF C30 H43 Cl F3 N3 O2 S2
Search alternative names for KEY name fragments:Search alternative names for KEY name fragments:
(CH2)17 Me
CF3Cl N
H
S NS NH
O
O
Chemical Names searchingChemical Names searching
1717
=> S L2 AND C25H45NO2S/MFL3 2 …
=> D SCANIN Benzenesulfonamide, 2-methyl-N-octadecyl- (9CI)MF C25 H45 N O2 S
IN Benzenesulfonamide, 4-methyl-N-octadecyl- (9CI)MF C25 H45 N O2 S
Refine results with an MF:Refine results with an MF:
(CH2)17
Me
MeS NH
O
O
(CH2)17
Me
Me SNH
O
O
Desired compound:N-stearyl o-toluenesulfonamide
Chemical Names searchingChemical Names searching
1818
=> S L3 AND 2L4 1 …
=> FILE CAPLUS
=> S L4L5 1…
=> D L5 1 BIB HITooo
IT 70-55-3 77-85-0 80-39-7 88-19-7 103-23-1 120-56-9 614-33-5 1077-56-1 4196-86-5 4196-89-8 52819-21-3 100678-01-1 RL: MOA (Modifier or additive use); USES (Uses) (plasticizer, for poly(ethylene terephthalate))
Isolate the compound and retrieve desired references:Isolate the compound and retrieve desired references:
Chemical Names searchingChemical Names searching
1919
Searching name fragments inSearching name fragments in
Basic IndexBasic Index
Is a powerful metod for retrieving substancesIs a powerful metod for retrieving substances
Chemical Names searchingChemical Names searching
2020
Basic IndexBasic Index (/BI or none) (/BI or none)There are chemically significant name segmentsThere are chemically significant name segments::
Natural Segments Basic Segments Recombined Segments
Chemical Names searchingChemical Names searching
2121
Basic IndexBasic Index
3,4 –bis(2,2,2-trifluoroethoxy)benzamide3,4 –bis(2,2,2-trifluoroethoxy)benzamide
Natural SegmentsNatural Segments:: 3,4 bis 2,2,2 trifluoroethoxy benzamide3,4 bis 2,2,2 trifluoroethoxy benzamide
Basic SegmentsBasic Segments:: 3 4 bis 2 tri fluoro eth oxy benz amide3 4 bis 2 tri fluoro eth oxy benz amide
Recombined SegmentsRecombined Segments: (trifluoroethoxy)trifluoroethoxy)** (benzamide) (benzamide)**
trifluorotrifluoro trifluoroethtrifluoroeth fluoroethfluoroeth fluoroethoxyfluoroethoxy ethoxyethoxy
All fragments from all names are in /BIAll fragments from all names are in /BI
** Fragments are not repeatedFragments are not repeated
Chemical Names searchingChemical Names searching
2222
DicyclopentaDicyclopenta[def,pqr][def,pqr]tetraphenylene-1,8-dionetetraphenylene-1,8-dione
Natural SegmentsNatural Segments: def,pqrdef,pqr 1,8 1,8 dicyclopenta dicyclopenta tetraphenylene dionetetraphenylene dione
Basic SegmentsBasic Segments: 1 81 8 di cyclo penta onedi cyclo penta one (tetraphenylene)*(tetraphenylene)*
Recombined SegmentsRecombined Segments: dicyclo cyclopenta dicyclo cyclopenta
Basic IndexBasic Index
Chemical Names searchingChemical Names searching
2323
=> fil reg
=> 1,8L1 53429 1,8
=> 1 8L2 95298 1 8 (1(W)8)
Chemical Names searchingChemical Names searching
2424
=> def,pqrL3 8 DEF,PQR
=> def pqr 1891 DEF 41 PQRL4 0 DEF PQR (DEF(W)PQR)
Chemical Names searchingChemical Names searching
2525
RN 387867-54-1 REGISTRYCN Pyrido[3',2':4,5]thieno[2,3-b][2,3-b]pyrazine (9CI) (CA INDEX NAME)FS 3D CONCORDMF C9 H5 N3 SCI RPS
=> e 2,3-bE1 8 2,3-A:7,6-A'/BIE2 5 2,3-A:7,8-A'/BIE3 92684 --> 2,3-B/BI. . . . . . . . . . . . . . .
Chemical Names searchingChemical Names searching
2626
=> e3 858257 "2,3"/BI 578293 "B"/BIL2 26 "2,3-B"/BI (("2,3"(W)"B")/BI)
Chemical Names searchingChemical Names searching
2727
=> "2,3-b" 858257 "2,3" 578293 "B"L3 26 "2,3-B" ("2,3"(W)"B")
Chemical Names searchingChemical Names searching
2828
=> ""2,3-b""L4 92684 ""2,3-B""
Chemical Names searchingChemical Names searching
2929
=> 387867-54-1 and l3 1 387867-54-1 (387867-54-1/RN)L5 0 387867-54-1 AND L3 => 387867-54-1 and l4 1 387867-54-1 (387867-54-1/RN)L6 1 387867-54-1 AND L4
3030
RN 387867-54-1 REGISTRYCN Pyrido[3',2':4,5][3',2':4,5]thieno[2,3-b]pyrazine (9CI) (CA INDEX NAME)FS 3D CONCORDMF C9 H5 N3 SCI RPS
Chemical Names searchingChemical Names searching
3131
=> e 3',2':4,5E1 9 3,2:3',2'/BIE2 6 3,2:4',5'/BIE3 1 --> 3,2:4,5/BI. . . . . . . . . . . . . . . => e3L1 1 "3,2:4,5"/BI
Chemical Names searchingChemical Names searching
3232
=> d L1 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2004 ACS on STN RN 72792-85-9 REGISTRYCN 1,2-Ethanediamine, N'-(7,9-dimethyl-8- nitropyrido[3,2:4,5]thieno[3,2- d]pyrimidin-4-yl)-N,N-diethyl- (9CI) (CA INDEX NAME)
Chemical Names searchingChemical Names searching
3333
=> ""3',2':4,5""L2 1 ""3',2':4,5""
Chemical Names searchingChemical Names searching
3434
=> e "3',2':4,5"E37 1 3',2':4',5/BIE38 2 3',2':4,3/BIE39 6207 --> 3',2':4,5/BI. . . . . . . . . . . . . . . .
Chemical Names searchingChemical Names searching
3535
=> e39L3 6207 "3',2':4,5"/BI => "3',2':4,5"L4 6207 "3',2':4,5" => l4 and 387867-54-1 1 387867-54-1 (387867-54-1/RN)L5 1 L4 AND 387867-54-1
Chemical Names searchingChemical Names searching
3636
=> "2,3-b" 26 "2,3-B" UNCORRECT ("2,3"(W)"B") => ""2,3-b"" 92684 ""2,3-B"" CORRECT
=> "3',2':4,5" 6207 "3',2':4,5" CORRECT=> ""3',2':4,5"" 1 ""3',2':4,5"" UNCORRECT
Chemical Names searchingChemical Names searching
3737
Basic SegmentsBasic Segments
Dicyclopenta – no matchDicyclopent - no matchDicyclopen - no match . . . .Di - finds a match____________________________
Cyclopenta - no match . . . . . Cyclo - finds a match_____________________________
Penta - finds a match
Chemical Names searchingChemical Names searching
3838
With previous way “Chalcone”Chalcone” doesn’t find any match then:
Halcone – no matchHalcon - no match. . . . . . . . . .Alcone - no match. . . . . . . . . .One - finds a match
Segments for ChalconeChalcone: chalcchalc one one New Posting
Basic SegmentsBasic Segments
Chemical Names searchingChemical Names searching
3939
OperatorsOperators
(L) Segments in same name(L) Segments in same name (W) Segments adjacent and in order input (W) Segments adjacent and in order input (A) Segments adjacent and in any order(A) Segments adjacent and in any order
Chemical Names searchingChemical Names searching
4040
CN (IN) Cyclopenta[b]pyrrole-2-carboxylic acid, 1-[(2S)-2- [[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1- oxopropyl]octahydro-, (2S,3aS,6aS)- (9CI) (CA INDEX NAME)OTHER CA INDEX NAMES:CN (IN) Cyclopenta[b]pyrrole-2-carboxylic acid, 1-[2-[[1- (ethoxycarbonyl)-3-phenylpropyl]amino]-1- oxopropyl]octahydro-,[2S-[1[R*(R*)],2.alpha.,3a.beta.,6a.beta.]]-OTHER NAMES:CN AltaceCN HOE 498CN RamiprilCN Tritace
CN (Chemical Name) display field
For CA Names there is also the IN Field (only display)
Chemical Names searchingChemical Names searching
4141
Skills Practice
1) Find all the compounds which have, inside their structure, the 1) Find all the compounds which have, inside their structure, the Adamantane ring systemsAdamantane ring systems
2) Extend the search to other structure with different ring clousures in 2) Extend the search to other structure with different ring clousures in comparison with Adamantane comparison with Adamantane
4242
Chemical Names searchingChemical Names searching
=> fil reg=> adamantane/cnL1 1 ADAMANTANE/CN => d rn cn str L1 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2005 ACS on STN RN 281-23-2 REGISTRYCN Tricyclo[3.3.1.13,7]decaneTricyclo[3.3.1.13,7]decane (9CI) (CA INDEX NAME)OTHER CA INDEX NAMES:CN Adamantane (6CI, 8CI)OTHER NAMES:CN NSC 527913
4343
Chemical Names searchingChemical Names searching
1) Find all the compounds which have, inside their structure, the 1) Find all the compounds which have, inside their structure, the Adamantane ring systemsAdamantane ring systems
=> tricycl?(w)3.3.1.13,7(w)dec?L2 84641 TRICYCL?(W)3.3.1.13,7(W)DEC?
HO2CS
S
S
PhPh
O
O
OMeOH
O
O
O
O
O
O
HR
S
4444
Chemical Names searchingChemical Names searching
2)2) Extend the search to other structure with different ring clousures in Extend the search to other structure with different ring clousures in comparison with Adamantane comparison with Adamantane
=> tricycl?(1w)dec?L8 89677 TRICYCL?(1W)DEC? => l8 not l2L9 5036 L8 NOT L2 => l9 and nc=1L10 4432 L9 AND NC=1
4545
Chemical Names searchingChemical Names searching2) Extend the search to other structure with different ring clousures in 2) Extend the search to other structure with different ring clousures in comparison with Adamantane comparison with Adamantane
IN 10-Azatricyclo[4.3.1.02,4]decan-5-ol. .
Cl
SO O
N
OH
H
H
H
S
R
R
S
S
IN Tricyclo[4.4.0.03,8]decane. .
NHEtCH2
4646
(CH2)7
Et
HO2C
Find all RNs of this compound, and isolate, as far as possible, the stereoisomers.
Skills Practice
9,12,15-Octadecatrienoic acid
c18h30o2/mf
4747
=> fil reg => c18h30o2/mfL1 1536 C18H30O2/MF => l1 and 9,12,15 octadecatrienoicL2 26 L1 AND 9,12,15 OCTADECATRIENOIC
=> d scan
Chemical Names searchingChemical Names searching
4848
=> 9,12,15 octadecatrienoic(l)(z or 9z) (notl)(e or 9e or 12e or 15e) and c18h30o2/mfL3 13 9,12,15 . . . . . . .
(CH2)7
Et
HO2CZ Z Z
CIS Isomers
Chemical Names searchingChemical Names searching
4949
=> 9,12,15 octadecatrienoic(l)(e or 9e) (notl)(z or 9z or 12z or 15z) and c18h30o2/mf (or L1)L4 1 9,12,15 . . . . . . . .
(CH2)7EtHO2C
E E E
TRANS Isomers
Chemical Names searchingChemical Names searching
5050
=> l3 or l4L5 14 L3 OR L4 => l2 not l5L6 12 L2 NOT L5 => l6 and (z or e or 9z or 9e) L7 9 L6 AND (Z OR E OR . . .
CIS,TRANS Isomers
Chemical Names searchingChemical Names searching
5151
(CH2)7
Et
HO2CE
Z Z
(CH2)7 EtHO2C
Z E E
Chemical Names searchingChemical Names searching
5252
=> l6 not l7L8 3 L6 NOT L7
(CH2)7 EtHO2C CH CH CH2 CH CH CH2 CH CH
(CH2)7 EtCH CH CH2 CH CH14C CH2
O
HO CH CH
Not defined Isomers
Chemical Names searchingChemical Names searching
5353
Find RNs for the following substance and its saltsFind RNs for the following substance and its salts
MeO
OMe
OMe
Cl
Cl
C
O
CH2NH
C
C
OCH2
O
N
CH2
NCH2N
MF = c36h38cl2n4o6
Skills Practice
5454
=> fil reg=> fil reg=> c36h38cl2n4o6=> c36h38cl2n4o6L1 11 C36H38CL2N4O6L1 11 C36H38CL2N4O6=> d scan=> d scanININ 3,5-Pyridinedicarboxylic acid, 4-3,5-Pyridinedicarboxylic acid, 4-(2,6-dichlorophenyl)-1,4-dihydro-2-[2-(2,6-dichlorophenyl)-1,4-dihydro-2-[2-(2-methoxyphenyl)ethyl]-6-[2-oxo-2-[4-(2-methoxyphenyl)ethyl]-6-[2-oxo-2-[4-((2-pyridinylmethyl)-1-piperazinyl]ethyl] -pyridinylmethyl)-1-piperazinyl]ethyl] -,dimethyl ester, dihydrochloride (9CI)-,dimethyl ester, dihydrochloride (9CI)
MF C36 H38 Cl2 N4 O6 . 2 Cl HMF C36 H38 Cl2 N4 O6 . 2 Cl H
Chemical Names searchingChemical Names searching
5555
MeO
OMe
OMe
Cl
Cl
C
O
CH2NH
C
C
OCH2
O
N
CH2
NCH2N
HCl2
Chemical Names searchingChemical Names searching
5656
=> l1 and 3,5-Pyridinedicarboxylic => l1 and 3,5-Pyridinedicarboxylic
acid(acid(LL))44-pyridinylmethyl-pyridinylmethyl
L2 2 L1 AND 3,5-PYRIDINL2 2 L1 AND 3,5-PYRIDIN . . . . . .
=> d str=> d str
Chemical Names searchingChemical Names searching
5757
MeO
OMe
OMe
Cl
Cl
C
O
CH2NH
C
C
OCH2
O
N
CH2
NCH2N
Chemical Names searchingChemical Names searching
5858
3,4-bis(2,2,2-trifluoroethoxy)benzamide3,4-bis(2,2,2-trifluoroethoxy)benzamide
Natural SegmentsNatural Segments: 3,4 bis 2,2,2 trifluoroethoxy
benzamide
These segments are in the /BI but they are These segments are in the /BI but they are also indexed in the /CNS Field (not display).also indexed in the /CNS Field (not display).
Chemical Names searchingChemical Names searching
5959
/CNS - Natural Segments/CNS - Natural Segments
Segments separated bySegments separated by parenthesesparentheses bracketsbrackets spacesspaces etc.etc.
Left-hand truncationLeft-hand truncation 4-character search term4-character search term EXPAND LEFTEXPAND LEFT
Chemical Names searchingChemical Names searching
6060
CN Cyclopenta[b]pyrrole-2-carboxylic acid, 1-[(2S)-2- [[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1- oxopropyl]octahydro-, (2S,3aS,6aS)- (9CI) (CA INDEX NAME)OTHER CA INDEX NAMES:CN Cyclopenta[b]pyrrole-2-carboxylic acid, 1-[2-[[1- (ethoxycarbonyl)-3-phenylpropyl]amino]-1- oxopropyl]octahydro-, [2S-[1[R*(R*)],2.alpha.,3a.beta.,6a.beta.]]-OTHER NAMES:CN AltaceCN HOE 498CN RamiprilCN Tritace
Chemical Names searchingChemical Names searching
/CNS - Natural Segments/CNS - Natural Segments
6161
/CNS Field Advantages /CNS Field Advantages
Searching with a larger name fragments Searching with a larger name fragments in /CNS can be more precise than searching in /CNS can be more precise than searching in /BIin /BI
/CNS provides left-truncation which allows /CNS provides left-truncation which allows to retrieve strings not always in /BIto retrieve strings not always in /BI
Chemical Names searchingChemical Names searching
6262
=> S chloromethyl=> S chloromethyl/CNS/CNS
Retrieves only:Retrieves only:““chloromethylchloromethyl””
=> S chloromethyl=> S chloromethyl
Retrieves:Retrieves:““chloromethylchloromethyl”” ““dichloromethyldichloromethyl”” etc.
Chemical Names searchingChemical Names searching
6363
Skills PracticeSkills Practice
Find Methylindoles substituted with a picryl Find Methylindoles substituted with a picryl group. Substitutions allowed, no fixed group. Substitutions allowed, no fixed formulaformula
(Picryl group=2,4,6 trinitrobenzene)(Picryl group=2,4,6 trinitrobenzene)
6464
=> indole(1a)methyl(l)(2,4,6(w)trinitro or picryl) and nc=1L3 3 INDOLE(1A)METHYL(L)(2,4,6(W)TRINITRO OR PICRYL) AND NC=1
Chemical Names searchingChemical Names searching
6565
Me
O2N
NO2
NO2
NH
Me
O2N
NO2
NO2
NHN
Me
O2N
NO2
NO2
N
Chemical Names searchingChemical Names searching
6666
Locate references describing the agricultural Locate references describing the agricultural use of substances containing a pyridine , use of substances containing a pyridine , nitrile and monomethylamine groupnitrile and monomethylamine group
Skills PracticeSkills Practice
6767
=> file reg=> file reg
=>pyridin##(l)(nitril# or cyan#) =>pyridin##(l)(nitril# or cyan#) (l) methylamin#(l) methylamin#
L1 2705 PYRIDIN##(L)(L1 2705 PYRIDIN##(L)( . . . . . .
Chemical Names searchingChemical Names searching
6868
=>pyridin##(l)(nitril# or cyan#) (l) methylamin#/cns
L2 923 PYRIDIN##(L)(. .
=> l1 not l2L3 1782 L1 NOT L2
Chemical Names searchingChemical Names searching
6969
=> d kwic L3 ANSWER 1 OF 1782 REGISTRYCN Acetamide,..dimethylamino.. (9CI) (CA INDEX NAME)
Chemical Names searchingChemical Names searching
7070
=> d kwic l2 L2 ANSWER 1 OF 923 REGISTRY CN 3,5-Pyridine. . methylamino (9CI) (CA INDEX NAME)
Chemical Names searchingChemical Names searching
7171
=> fil caplus
=> l2/agrL4 25 L2/AGR (L2 (L) AGR/RL)
=> d hitstr
Chemical Names searchingChemical Names searching
7272
Me
Me
Me
NC Cl
CH2 C CH2 N CH2 N
Chemical Names searchingChemical Names searching
7373
Identify RNs for commercially available Identify RNs for commercially available substances containing the name segment substances containing the name segment “acenecarboxamid”“acenecarboxamid”
Skills PracticeSkills Practice
7474
=> fil reg=> e acenecarboxamidE1 1 ACENAZOLE/BIE2 47 ACENE/BIE3 0 --> ACENECARBOXAMID/BI. . . . . . . . . . . .
Chemical Names searchingChemical Names searching
7575
=> e carboxamidE13 2 CARBOXAMATE/BIE14 1 CARBOXAMIC/BIE15 5582 --> CARBOXAMID/BI. . . . . . . . . . . => acene carboxamid?L1 0 ACENE CARBOXAMID? (ACENE(W)CARBOXAMID?)
Chemical Names searchingChemical Names searching
7676
=> e left acenecarboxamid/cns. . . . . . . . . . . . . . . . .E27 0 --> ACENECARBOXAMID/CNSE28 2 ANTHRACENECARBOXAMIDATO/CNSE29 83 NAPHTHACENECARBOXAMIDATO/CNSE30 1618 ANTHRACENECARBOXAMIDE/CNSE31 1 ETHANOANTHRACENECARBOXAMIDE/CNS. . . . . . . . . . . . . . . . . . . .
Chemical Names searchingChemical Names searching
7777
=>?acenecarboxamid?/cnsL2 6558 ?ACENECARBOXAMID?/CNS
=>l2 and (chemcats or cschem)/lc L3 108 L2 AND (CHEMCATS OR . .
Chemical Names searchingChemical Names searching
7878
=> d scan L3 108 ANSWERS REGISTRY IN 2-Anthracenecarboxamide. .
NO2
C
O
NH
O
O
Chemical Names searchingChemical Names searching
7979
=> d rn in L4 ANSWER 1 OF 40 REGISTRY RN 316351-49-2 REGISTRYIN 2-Naphthacenecarboxamide,.
Chemical Names searchingChemical Names searching
8080
Tips for Name Segment Searching Tips for Name Segment Searching
Follow these tips for effective name segment searchingFollow these tips for effective name segment searching
8181
Ph Ph
CO2H
CCH2 CH2
OH
CH2
Passage from (non)systematic to systematic Passage from (non)systematic to systematic nomenclature (8CI-9CI)nomenclature (8CI-9CI)
Consider the following structure to be named:Consider the following structure to be named:
Chemical Names searchingChemical Names searching
8282
The main problem is to find the BasicThe main problem is to find the BasicStructure (or Structure (or Heading ParentHeading Parent) from ) from which the compound can be considered which the compound can be considered derivedderived
Chemical Names searchingChemical Names searching
Passage from nonsystematic to systematic Passage from nonsystematic to systematic nomenclature (8CI-9CI)nomenclature (8CI-9CI)
8383
Ph Ph
CO2H
CCH2 CH2
OH
CH2
NONSYSTEMATIC NOMENCLATURE (8CI)NONSYSTEMATIC NOMENCLATURE (8CI)
According to the considered fragment the name was:According to the considered fragment the name was:
Hydrocinnamic acid, Hydrocinnamic acid, α-hydroxy-α-phenethylα-hydroxy-α-phenethyl
But in nonsystematic nomenclature you found also:Hydrocinnamic acid, Hydrocinnamic acid, α-hydroxy-α-hydroxy- see: Lactic acid,3-phenylLactic acid,3-phenyl
Chemical Names searchingChemical Names searching
8484
Ph Ph
CO2H
CCH2 CH2
OH
CH2
Then the name was:Then the name was:Lactic acid , 2-phenethyl-3-phenylLactic acid , 2-phenethyl-3-phenyl
But in nonsystematic nomenclature you found also:Lactic acid, 2-phenethyl-Lactic acid, 2-phenethyl- seesee:: Butyric acid, 2-hydroxy-2-Butyric acid, 2-hydroxy-2-methyl-4-phenylmethyl-4-phenyl
Chemical Names searchingChemical Names searching
8585
Ph Ph
CO2H
CCH2 CH2
OH
CH2
Then the name was:Then the name was:Butyric acid, 2-benzyl-2-hydroxy-4-phenyl-Butyric acid, 2-benzyl-2-hydroxy-4-phenyl-
But in nonsystematic nomenclature you found also:Butyric acid, 2-benzyl-4-phenyl-Butyric acid, 2-benzyl-4-phenyl- see:
Hydrocinnamic acid, Hydrocinnamic acid, α-phenethylα-phenethyl
Chemical Names searchingChemical Names searching
8686
According to the 8CI Nomenclature Manual:According to the 8CI Nomenclature Manual:
“ “ This kind of situation has been referred to This kind of situation has been referred to as ‘sending the searcher in a circle’. In such a as ‘sending the searcher in a circle’. In such a case, the largest index compound [ case, the largest index compound [ heading heading parentparent ] is chosen regardless of conflicting ] is chosen regardless of conflicting cross-references.”cross-references.”
Therefore, the 8CI name was:Therefore, the 8CI name was:
Hydrocinnamic acid, Hydrocinnamic acid, α-hydroxy-α-phenethyl-α-hydroxy-α-phenethyl-
Chemical Names searchingChemical Names searching
8787
Ph Ph
CO2H
CCH2 CH2
OH
CH2
THE SYSTEMATIC NAME (9CI) IS:THE SYSTEMATIC NAME (9CI) IS:
Benzenebutanoic acid, Benzenebutanoic acid, α-hydroxy-α-(phenylmethyl)-α-hydroxy-α-(phenylmethyl)-
Chemical Names searchingChemical Names searching
8888
Basic Guidelines to Systematic NamesBasic Guidelines to Systematic Names
Determine the principal functional groupDetermine the principal functional group
Determine the preferred PARENT Determine the preferred PARENT (based on precise rules)(based on precise rules)
Name the remainder as Substituent or Name the remainder as Substituent or Modification Modification
Indicate Stereochemistry, when presentIndicate Stereochemistry, when present
Chemical Names searchingChemical Names searching
8989
Based on the previous principles the following Based on the previous principles the following structure :structure :
OEt
Me2N
O
Is named:Is named:Cyclohexanecarboxylic acid, 4-(dimethylamino)-, ethyl ester, trans- (9CI)
Chemical Names searchingChemical Names searching
9090
Cyclohexanecarboxylic acid((Heading ParentHeading Parent))
4-(dimethylamino)-(SubstituentSubstituent)
ethyl ester(ModificationModification)
trans-(StereoStereo)
Chemical Names searchingChemical Names searching
9191
Parent Selection: Parent Selection: Principal Functional Group
Onium CompoundsOnium Compounds
AcidsAcids
Acid HalidesAcid Halides
AmidesAmides
NitrilesNitriles
AldhehydesAldhehydes
KetonesKetones
AlcoholsAlcohols
HydroperoxidesHydroperoxides
AminesAmines
IminesImines
Chemical Names searchingChemical Names searching
9292
Et
Et
NCH
SCHCH
N+
Which is the Heading Parent? Which is the Heading Parent?
Chemical Names searchingChemical Names searching
9393
IN QuinoliniumQuinolinium, 1-ethyl-2-[3-(3-ethyl naphtho[2,1-d]thiazol-2(3H)-ylidene) -1-propenyl]- (9CI)
Chemical Names searchingChemical Names searching
9494
/HP - Heading Parent/HP - Heading Parent
CA Index names onlyCA Index names only Index names assigned based on rules of CAS index Index names assigned based on rules of CAS index
nomenclaturenomenclature Index Guide: Appendix IV Chemical Substance Index Index Guide: Appendix IV Chemical Substance Index
NamesNames
Indexed as a phraseIndexed as a phrase
Chemical Names searchingChemical Names searching
9595
CN Cyclopenta[b]pyrrole-2-carboxylic acid, 1-[(2S)-2- [[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1- oxopropyl]octahydro-, (2S,3aS,6aS)- (9CI)(CA INDEX NAME)OTHER CA INDEX NAMES:CN Cyclopenta[b]pyrrole-2-carboxylic acid, 1-[2-[[1- (ethoxycarbonyl)-3-phenylpropyl]amino]-1- oxopropyl]octahydro-,[2S-[1[R*(R*)],2.alpha.,3a.beta.,6a.beta.]]-OTHER NAMES:CN AltaceCN HOE 498CN RamiprilCN Tritace
Chemical Names searchingChemical Names searching
/HP - Heading Parent/HP - Heading Parent
9696
=> "Cyclopenta(b)pyrrole-2-carboxylic acid"/hpL1 411 "CYCLOPENTA(B)PYRROLE-2-CARBOXYLIC ACID"/HP
CN Cyclopenta[b]pyrrole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]octahydro-,(2S,3aS,6aS)-, monomethanesulfonate (9CI)
/HP - Heading Parent/HP - Heading Parent
Chemical Names searchingChemical Names searching
9797
Find polymer(s) formed by three components which have the followings Heading Parents:
hexanedioyl dibromide1-propanolbenzene
Skills PracticeSkills Practice
9898
=>hexanedioyl dibromide/hp and 1-propanol/hp and benzene/hp and nc=3 and pms/ci
L1 1 HEXANEDIOYL DIBROMIDE/HP AND . . . . .
=> d cn
Chemical Names searchingChemical Names searching
9999
CN Hexanedioyl dibromide, polymer with 1,1'-methylenebis[4- isocyanatobenzene] and 3,3'-[1,5,7,11-tetraoxaspiro[5.5]undecane -3,9-diylbis(3,1-propanediylthio)]bis[1-propanol] (9CI) OTHER CA INDEX NAMES:CN 1,5,7,11-Tetraoxaspiro[5.5]undecane, 1-propanol deriv.CN 1-Propanol, 3,3'-[1,5,7,11-tetraoxaspiro[5.5]undecane-3,9- diylbis(3,1-propanediylthio)]bis-, polymer with hexanedioyl dibromide and 1,1'-methylenebis[4-isocyanatobenzene] (9CI)CN Benzene, 1,1'-methylenebis[4-isocyanato-, polymer with hexanedioyldibromide and 3,3'-[1,5,7,11-tetraoxaspiro[5.5] undecane-3,9-diylbis(3,1-propanediylthio)]bis[1-propanol] (9CI)
Chemical Names searchingChemical Names searching
100100
=> d str
(CH2)3 (CH2)3(CH2)3(CH2)3 SO
O
O
OOHSHO
(CH2)4 BrBr CC
OO
OCN NCO
CH2
Chemical Names searchingChemical Names searching
101101
/INS.HP/INS.HP - Index Name Segments: Heading Parent - Index Name Segments: Heading Parent
CA Index names onlyCA Index names onlyAll fragments from Heading Parent All fragments from Heading Parent
(Natural, Basic, Recombined)(Natural, Basic, Recombined)
Chemical Names searchingChemical Names searching
102102
Index Name Segment: Heading ParentIndex Name Segment: Heading Parent
CN Cyclopenta[b]pyrrole-2-carboxylic acid, 1-[(2S)-2- [[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1- oxopropyl]octahydro-, (2S,3aS,6aS)- (9CI) (CA INDEX NAME)OTHER CA INDEX NAMES:CN Cyclopenta[b]pyrrole-2-carboxylic acid, 1-[2-[[1- (ethoxycarbonyl)-3-phenylpropyl]amino]-1- oxopropyl]octahydro-, [2S-[1[R*(R*)],2.alpha.,3a.beta.,6a.beta.]]-OTHER NAMES:CN AltaceCN HOE 498CN RamiprilCN Tritace
INS.HP
Chemical Names searchingChemical Names searching
103103
/INS.NHP - Index Name Segment: NonHeading Parent/INS.NHP - Index Name Segment: NonHeading Parent
CA Index names onlyCA Index names only All fragments not in Heading Parent All fragments not in Heading Parent
(Natural, Basic, Recombined)(Natural, Basic, Recombined)
Chemical Names searchingChemical Names searching
104104
CN Cyclopenta[b]pyrrole-2-carboxylic acid, 1-[(2S)-2- [[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1- oxopropyl]octahydro-, (2S,3aS,6aS)- (9CI) (CA INDEX NAME)OTHER CA INDEX NAMES:CN Cyclopenta[b]pyrrole-2-carboxylic acid,1-[2-[[1- (ethoxycarbonyl)-3-phenylpropyl]amino]-1- oxopropyl]octahydro-,[2S-[1[R*(R*)],2.alpha.,3a.beta.,6a.beta.]]-OTHER NAMES:CN AltaceCN HOE 498CN RamiprilCN Tritace
INS.NHP
/INS.NHP - Index Name Segment: NonHeading Parent/INS.NHP - Index Name Segment: NonHeading Parent
Chemical Names searchingChemical Names searching
105105
=> indole/hpL1 6687 INDOLE/HP => indole/ins.hpL2 204295 INDOLE/INS.HP => (indole(l)amin#)/ins.hpL4 9195 (INDOLE(L)AMIN#)/INS.HP => d in L4 ANSWER 1 OF 9195 REGISTRY COPYRIGHT 2002 ACSIN 1H-Indole-3-ethanamine, N,N-bis(2-phenyl-2-propenyl)- (9CI)
Chemical Names searchingChemical Names searching
106106
=> indole/ins.hp(l)amin#/ins.nhpL5 37432 INDOLE/INS.HP(L)AMIN#/INS.NHP => d hit L5 ANSWER 1 OF 37432 REGISTRY COPYRIGHT 2002 ACSCN 1H-Indole-2-carboxylic acid, 3-[[[(1,3-dioxolan-2- ylmethyl)methylamino]acetyl]amino]-, methyl ester (9CI) (CA INDEX NAME)
Chemical Names searchingChemical Names searching
107107
=> indole/ins.hp(l)amin#L8 45627 INDOLE/INS.HP(L)AMIN# => d hit 1,5 L8 ANSWER 1 OF 45627 REGISTRY COPYRIGHT 2002 ACSCN 1H-Indole-2-carboxylic acid, 3-[[[(1,3-dioxolan-2- ylmethyl)methylamino]acetyl]amino]-, methyl ester (9CI) (CA INDEX NAME) L8 ANSWER 5 OF 45627 REGISTRY COPYRIGHT 2002 ACSCN 1H-Indole-5-methanamine, 2,3-dihydro-N-(4-methoxyphenyl) -1-methyl- (9CI) (CA INDEX NAME)
Chemical Names searchingChemical Names searching
108108
/ONS - Other Name Segment/ONS - Other Name Segment
Non-CA Index names onlyNon-CA Index names only
All fragments from non-CA Index NamesAll fragments from non-CA Index Names
Chemical Names searchingChemical Names searching
109109
CN Cyclopenta[b]pyrrole-2-carboxylic acid, 1-[(2S)-2- [[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1- oxopropyl]octahydro-, (2S,3aS,6aS)- (9CI) (CA INDEX NAME)OTHER CA INDEX NAMES:CN Cyclopenta[b]pyrrole-2-carboxylic acid, 1-[2-[[1- (ethoxycarbonyl)-3-phenylpropyl]amino]-1- oxopropyl]octahydro-, [2S-[1[R*(R*)],2.alpha.,3a.beta.,6a.beta.]]-OTHER NAMES:CN AltaceCN HOE 498CN RamiprilCN Tritace
Chemical Names searchingChemical Names searching
/ONS - Other Name Segment/ONS - Other Name Segment
110110
Polymer IndexingPolymer Indexing
Monomer-basedMonomer-based usual polymer registrationusual polymer registration Rns are assigned on the basis of monomers, even if the resulting polymer is always the same
SRU only if ...SRU only if ... well-establishedwell-established unambiguousunambiguous proven in documentproven in document
Chemical Names searchingChemical Names searching
111111
CN Hexanedioyl dibromide, polymer with 1,1'-methylenebis[4- isocyanatobenzene] and 3,3'-[1,5,7,11-etraoxaspiro[5.5]undecane- 3,9-diylbis(3,1-propanediylthio)]bis[1-propanol] (9CI) OTHER CA INDEX NAMES:CN 1,5,7,11-Tetraoxaspiro[5.5]undecane, 1-propanol deriv.CN 1-Propanol, 3,3'-[1,5,7,11-tetraoxaspiro[5.5]undecane-3,9- diylbis(3,1-propanediylthio)]bis-, polymer with hexanedioyl dibromide and 1,1'-methylenebis[4-isocyanatobenzene] (9CI)CN Benzene, 1,1'-methylenebis[4-isocyanato-, polymer with hexanedioyldibromide and 3,3'-[1,5,7,11-tetraoxaspiro[5.5] undecane-3,9-diylbis(3,1-propanediylthio)]bis[1-propanol] (9CI)
Chemical Names searchingChemical Names searching
Polymer Indexing (Polymer Indexing (Monomer-basedMonomer-based))
112112
Chemical Names searchingChemical Names searching
Polymer Indexing (Polymer Indexing (Monomer-basedMonomer-based))
Diacid + DiolDiacid + DiolDiacid halid + DiolDiacid halid + DiolDiester + DiolDiester + Diol
PolyesterPolyester
113113
Chemical Names searchingChemical Names searching
Polymer Indexing (Polymer Indexing (Monomer-basedMonomer-based))
26062-94-2 1,4-Benzenedicarboxylic acid, polymer with 1,4-butanediol
59822-52-51,4-Benzenedicarbonyl dichloride, polymer with 1,4-butanediol
52237-47-51,4-Benzenedicarboxylic acid, diethyl ester, polymer with 1,4-butanediol
114114
Chemical Names searchingChemical Names searching
Polymer Indexing (SRU-based)Polymer Indexing (SRU-based)
25038-59-9CN Poly(oxy-1,2-ethanediyloxycarbonyl-1,4-phenylenecarbonyl)
C O
O
CH2 CH2 O
C
O n
115115
Chemical Names searchingChemical Names searching=> "poly(ethylene terephthalate)"/cnL1 1 "POLY(ETHYLENE TEREPHTHALATE)"/CN => d L1 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2005 ACS on STN RN 25038-59-9 REGISTRYCN Poly(oxy-1,2-ethanediyloxycarbonyl-1,4-phenylenecarbonyl)OTHER NAMES:. . . . . . . . . . . . . . . . .CN Poly(ethylene terephthalate)
C O
O
CH2 CH2 O
C
O n
116116
POLYLINK
With the command Polylink you get the RNS for:
All possible copolymers that would lead to the same final polymer
The corrisponding SRUs
117117
POLYLINK
=> fil reg=> "poly(ethylene terephthalate)"/cnL1 1 "POLY(ETHYLENE TEREPHTHALATE)"/CN => d L1 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2005 ACS on STN CN Poly(oxyPoly(oxy-1,2-ethanediyloxycarbonyl-1,4-phenylenecarbonyl) (9CI) RN 25038-59-9 REGISTRY. . . . . . . . . . . . . . . . . . . . . . .**RELATED POLYMERS AVAILABLE WITH POLYLINK**
C O
O
CH2 CH2 O
C
O n
118118
POLYLINK
=> polylink l1 L2 39 POLYLINK L1 => d scan
119119
POLYLINK IN 1,4-Benzenedicarboxylic acid, polymer with dimethyl 1,4- benzenedicarboxylate and 1,2-ethanediol (9CI) CM 1
CM 2
CM 3
OMe
MeO
C
O
C
O
CH2 CH2HO OH
CO2H
HO2C
120120
POLYLINK
IN 1,4-Benzenedicarboxylic acid, mono(2-hydroxyethyl) ester, homopolymer (9CI) CM 1
HO2C
C O
O
CH2 CH2 OH
121121
POLYLINK
IN 1,4-Benzenedicarboxylic acid, polymer with 1,2-dibromoethane
CM 1
CM 2
CH2 CH2Br Br
CO2H
HO2C
122122
POLYLINK
Find the copolymer of terephthalic acid and 1,4-butylene glycol. Are there other copolymer entries that will lead to the same final product?
123123
POLYLINK=> fil reg=> terephthalic acid/cnL1 1 TEREPHTHALIC ACID/CN => 1,4-butylene glycol/cnL2 1 1,4-BUTYLENE GLYCOL/CN => sel l1 rn SmartSELECT INITIATED New TRANSFER and ANALYZE Commands Now AvailableSee HELP TRANSFER and HELP ANALYZE for Details L3 SEL L1 1- RN : 1 TERM => sel l2 rn SmartSELECT INITIATED New TRANSFER and ANALYZE Commands Now AvailableSee HELP TRANSFER and HELP ANALYZE for Details L4 SEL L2 1- RN : 1 TERM
124124
POLYLINK
=> l3/crn and l4/crn and nc=2 and pms/ci
L7 1 L5 AND L6 AND NC=2 AND PMS/CI => polylink l7 L8 16 POLYLINK L7 => d scan
125125
POLYLINK
(CH2)4
(CH2)4
C O
O
C
OH
O
O
HO
Cl
Cl
C
O
C
O
126126
POLYLINK
(CH2)4C O
O
C
O
O n
127127
SRU SearchingSRU Searching
““Poly(“?/CNPoly(“?/CN retrieves SRU’s (CA Index Name) retrieves SRU’s (CA Index Name)
SRU often in nameSRU often in name
Structure searching has refinement filterStructure searching has refinement filter
Chemical Names searchingChemical Names searching
Polymer Indexing (SRU-based)Polymer Indexing (SRU-based)
128128
““Poly(“?/CNPoly(“?/CN retrieves SRU’s retrieves SRU’s
=> "poly("?/cnL1 212993 "POLY("?/CN => "poly("?/hpL2 203551 "POLY("?/HP => "poly("?/onsADDITIONAL CHARACTERS REQUIRED AFTER '?' FOR LEFT TRUNCATION => "poly("?/ins.hpADDITIONAL CHARACTERS REQUIRED AFTER '?' FOR LEFT TRUNCATION
=> l1 not l2L3 9442 L1 NOT L2
129129
=> d 1-5 in L3 ANSWER 1 OF 9442 REGISTRY COPYRIGHT 2005 ACS on STN IN Ethenol, homopolymer, hydroxybutanedioate (9CI). . . . . . . . . . . . . . . . .
=> d 1-5 hit L3 ANSWER 1 OF 9442 REGISTRY COPYRIGHT 2005 ACS on STN OTHER NAMES:CN Poly(vinyl alcohol) D,L-malate . . . . . . . . . . . . . . . . . .
=> d 1-5 mf L3 ANSWER 1 OF 9442 REGISTRY COPYRIGHT 2005 ACS on STN MF C4 H6 O5 . x (C2 H4 O)x . . . . . . . . . . . . . . . . . .
““Poly(“?/CNPoly(“?/CN retrieves SRU’s retrieves SRU’s
130130
SRU often in nameSRU often in name
=> fil reg => "poly("?/hpL1 203551 "POLY("?/HP => sruL2 11335 SRU => l2 not l1L3 93 L2 NOT L1
131131
SRU often in nameSRU often in name
=> d in mf L3 ANSWER 1 OF 93 REGISTRY COPYRIGHT 2005 ACS on STN IN Benzenesulfonic acid, 4-methyl-, ester with -hydro-- hydroxypoly(oxy-1,4-butanediyl) (9CI)MF C7 H8 O3 S . x (C4 H8 O)n H2 O => d hit L3 ANSWER 1 OF 93 REGISTRY COPYRIGHT 2005 ACS on STN OTHER NAMES: CN Tetrahydrofurane homopolymer, sru, p-toluenesulfonate => l1 or l2L4 203644 L1 OR L2
132132
Structure searching SRUStructure searching SRU
There are three screens for There are three screens for searching SRUs by structuresearching SRUs by structure::
20682068 SRU genericSRU generic
20692069 SRU with end groupSRU with end group
20702070 SRU without end goup SRU without end goup
133133
Structure searching SRUStructure searching SRU=> fil reg => screen 2068L1 SCREEN CREATED => Uploading C:\Program Files\stnexp\Queries\SRU2.str L2 STRUCTURE UPLOADED => dL2 HAS NO ANSWERSL2 STR
NH
O
O
NH
134134
Structure searching SRUStructure searching SRU
=> l1 and l2 exa full L4 2 SEA EXA FUL L1 AND L2
C NH
OC NH
O
n
135135
Structure searching SRUStructure searching SRU
=> polylink l4 L5 21 POLYLINK L4 => d scan
Cl
Cl
C
O
C
O
NH2
H2N
NH2
H2N
CO2H
HO2C
136136
Broad Substance ClassesBroad Substance Classes
137137
Class Identifiers (/CI)Class Identifiers (/CI) Classes of substancesClasses of substances => S ALLOY/CI=> S ALLOY/CI
Number of Components (/NC)Number of Components (/NC) => S 3-4/NC=> S 3-4/NC
Broad Substance ClassesBroad Substance Classes
138138
Class IdentifiersClass Identifiers ALLOYALLOY CONCEPTCONCEPT COORDINATIONCOORDINATION COMPONENT COMPONENT **
GENERICGENERIC INCOMPLETELY DEFINEDINCOMPLETELY DEFINED MANUALMANUAL
MINERALMINERAL MIXTUREMIXTURE POLYMERPOLYMER RADICAL IONRADICAL ION RING PARENTRING PARENT TABULAR INORGANICTABULAR INORGANIC UVCBUVCB
** COMPONENT is not searchable
Broad Substance ClassesBroad Substance Classes
139139
ALLOYALLOY - AYS - AYS
=> S AYS/CI=> S AYS/CI
COORDINATION COMPOUNDSCOORDINATION COMPOUNDS - CCS - CCS
=> S CCS/CI=> S CCS/CI
Class Identifier (/CI)Class Identifier (/CI)
Broad Substance ClassesBroad Substance Classes
140140
CONCEPTCONCEPT - CTS - CTS
GENERIC REGISTRATIONGENERIC REGISTRATION - GRS - GRS
UVCB = CTS or GRSUVCB = CTS or GRS
Class Identifier (/CI)Class Identifier (/CI)
Broad Substance ClassesBroad Substance Classes
141141
=> cts/ci=> cts/ci
L1 27698 CTS/CI L1 27698 CTS/CI
=> grs/ci=> grs/ci
L2 14973 GRS/CI L2 14973 GRS/CI
=> (grs or cts)/ci=> (grs or cts)/ci
L3 42671 (GRS OR CTS)/CIL3 42671 (GRS OR CTS)/CI
=> uvcb/ci=> uvcb/ci
L4 42671 UVCB/CIL4 42671 UVCB/CI
Class Identifier (/CI)Class Identifier (/CI)
Broad Substance ClassesBroad Substance Classes
142142
=> d l1 50 => d l1 50
L1 ANSWER 50 OF 27698 REGISTRY. . .L1 ANSWER 50 OF 27698 REGISTRY. . .
RN 389130-28-3 REGISTRY *RN 389130-28-3 REGISTRY *
* Use of this CAS Registry Number alone as a * Use of this CAS Registry Number alone as a search term in other STN files maysearch term in other STN files may
result in incomplete search results. For result in incomplete search results. For additional information, enter HELPadditional information, enter HELP
RN* at an online arrow prompt (=>).RN* at an online arrow prompt (=>).
CN CN SiloxanesSiloxanes and and SiliconesSilicones,. . . . . . .,. . . . . . .
MF MF UnspecifiedUnspecified
CI PMS, MAN, CI PMS, MAN, CTSCTS
Broad Substance ClassesBroad Substance Classes
Class Identifier (/CI)Class Identifier (/CI)
143143
=> d l2 50=> d l2 50
L2 ANSWER 50 OF 14973 REGISTRY. . . .L2 ANSWER 50 OF 14973 REGISTRY. . . .
RN 391232-91-0 REGISTRY *RN 391232-91-0 REGISTRY *
* * Use of this CAS Registry Number alone as a Use of this CAS Registry Number alone as a search term in other STN files maysearch term in other STN files may
result in incomplete search results. For result in incomplete search results. For additional information, enter HELPadditional information, enter HELP
RN* at an online arrow prompt (=>).RN* at an online arrow prompt (=>).
CN CN Iron, chloro diethylene glycolIron, chloro diethylene glycol. . . .. . . .
MF MF UnspecifiedUnspecified
CI MAN, CI MAN, GRSGRS
Broad Substance ClassesBroad Substance Classes
Class Identifier (/CI)Class Identifier (/CI)
144144
INCOMPLETELY DEFINED SUBSTANCESINCOMPLETELY DEFINED SUBSTANCES - IDS - IDS
Class Identifier (/CI)Class Identifier (/CI)
Broad Substance ClassesBroad Substance Classes
145145
=> ids/ci=> ids/ci
L1 247710 IDS/CI L1 247710 IDS/CI
=> d => d
L1 ANSWER 1 OF 216023 REGISTRY L1 ANSWER 1 OF 216023 REGISTRY
RN 396133-59-8 REGISTRYRN 396133-59-8 REGISTRY
CN INDEX NAME NOT YET ASSIGNEDCN INDEX NAME NOT YET ASSIGNED
MF C10 H15 N O2MF C10 H15 N O2
CI IDSCI IDS
Broad Substance ClassesBroad Substance Classes
Class Identifier (/CI)Class Identifier (/CI)
146146
CH2 CH2D1 OH
CH2CH2 NHHO D1
Class Identifier (/CI)Class Identifier (/CI)
Broad Substance ClassesBroad Substance Classes
147147
=> l1 and no rsd/fa=> l1 and no rsd/fa
20529165 NO RSD/FA20529165 NO RSD/FA
L2 51315 L1 AND NO RSD/FA L2 51315 L1 AND NO RSD/FA
=> d => d
L2 ANSWER 1 OF 51315 REGISTRY L2 ANSWER 1 OF 51315 REGISTRY
RN 396130-11-3 REGISTRYRN 396130-11-3 REGISTRY
CN INDEX NAME NOT YET ASSIGNEDCN INDEX NAME NOT YET ASSIGNED
MF (C25 H24 N2 O6)nMF (C25 H24 N2 O6)n
CI CI IDSIDS, PMS, MAN, PMS, MAN
Class Identifier (/CI)Class Identifier (/CI)
Broad Substance ClassesBroad Substance Classes
148148
=> l2 and cn/fa not pms/ci=> l2 and cn/fa not pms/ci
L3 31553 L2 AND CN/FA NOT PMS/CIL3 31553 L2 AND CN/FA NOT PMS/CI
=> d=> d
L3 ANSWER 1 OF 31553 REGISTRYL3 ANSWER 1 OF 31553 REGISTRY
RN 390417-36-4 REGISTRYRN 390417-36-4 REGISTRY
CN Octane, 1-bromodichloro- (9CI) CN Octane, 1-bromodichloro- (9CI)
MF C8 MF C8 H15H15 Br Cl2 Br Cl2
CI CI IDSIDS
(CH2)7Me Br
ClD1( )2
Broad Substance ClassesBroad Substance Classes
Class Identifier (/CI)Class Identifier (/CI)
149149
=> l3 and c h/elf=> l3 and c h/elf
276569 C H/ELF276569 C H/ELF
L4 1101 L3 AND C H/ELFL4 1101 L3 AND C H/ELF
=> d=> d
Class Identifier (/CI)Class Identifier (/CI)
Broad Substance ClassesBroad Substance Classes
150150
RN 350510-51-9 REGISTRYRN 350510-51-9 REGISTRY
CN HexacosCN Hexacoseneene, (Z)- (9CI)(CA INDEX NAME), (Z)- (9CI)(CA INDEX NAME)
MF C26 MF C26 H52H52
CI CI IDSIDS
SR CASR CA
LC STN Files: CA, CAPLUSLC STN Files: CA, CAPLUS
CM 1CM 1
CRN 630-01-3CRN 630-01-3
CMF C26 CMF C26 H54H54
(CH2)24Me Me
Broad Substance ClassesBroad Substance Classes
Class Identifier (/CI)Class Identifier (/CI)
151151
IN PentatriacontIN Pentatriaconteneene, , dimethyldimethyl- (9CI)- (9CI)MF MF C37 H74C37 H74CI CI IDSIDS CM 1CM 1
Broad Substance ClassesBroad Substance Classes
Class Identifier (/CI)Class Identifier (/CI)
(CH2)33 MeMe
MeD1( )2
152152
IN 1-Pentatriacontene, 13,17-dimethyl-, (13R,17R)- (9CI)IN 1-Pentatriacontene, 13,17-dimethyl-, (13R,17R)- (9CI)
MF C37 H74MF C37 H74
Absolute stereochemistry. Rotation (-).
Broad Substance ClassesBroad Substance Classes
Class Identifier (/CI)Class Identifier (/CI)
(CH2)3(CH2)17 (CH2)10
Me Me
MeCH2R R
153153
MANUAL REGISTRATIONMANUAL REGISTRATION - MAN - MAN
• Substances which cannot be processed (> 253 At.)Substances which cannot be processed (> 253 At.)
• Substances with unknown or generic structureSubstances with unknown or generic structure
• Multicomponents with one uknown structureMulticomponents with one uknown structure
Class Identifier (/CI)Class Identifier (/CI)
Broad Substance ClassesBroad Substance Classes
154154
MINERALSMINERALS - MNS - MNS
MIXTURESMIXTURES - MXS - MXS
POLYMERSPOLYMERS - PMS - PMS
RADICAL IONSRADICAL IONS - RIS - RIS
TABULAR INORGANICSTABULAR INORGANICS - TIS - TIS
Broad Substance ClassesBroad Substance Classes
Class Identifier (/CI)Class Identifier (/CI)
155155
RING PARENTRING PARENT - RPS - RPS
Broad Substance ClassesBroad Substance Classes
Class Identifier (/CI)Class Identifier (/CI)
156156
=> rps/ci=> rps/ci
L1 129663 RPS/CIL1 129663 RPS/CI
=> d ide rsd=> d ide rsd
RN 370884-24-5 REGISTRYRN 370884-24-5 REGISTRY
CN 1H-1,3,2,5-Azaphosphadiborole (9CI) CN 1H-1,3,2,5-Azaphosphadiborole (9CI)
(CA INDEX NAME)(CA INDEX NAME)
MF C H2 B2 N PMF C H2 B2 N P
CI RPSCI RPS
SR CA Index Guide or Ring Systems HandbookSR CA Index Guide or Ring Systems Handbook
Class Identifier (/CI)Class Identifier (/CI)
Broad Substance ClassesBroad Substance Classes
157157
BNH
P
B
Ring System Data Elemental|Elemental| Size of |Ring System| Ring | RID Analysis |Sequence |the Rings| Formula |Identifier|Occurrence EA | ES | SZ | RF | RID | Count =========+=========+=========+===========+==========+==========CB2NP |BNBPC |5 |CB2NP |16.2343.2 |1
Broad Substance ClassesBroad Substance Classes
Class Identifier (/CI)Class Identifier (/CI)
158158
COMPONENTCOMPONENT - COM (not searchable) - COM (not searchable)
Class Identifier (/CI)Class Identifier (/CI)
Broad Substance ClassesBroad Substance Classes
159159
=> styrene/cn
L1 1 STYRENE/CN
=> d
L1 ANSWER 1 OF 1 REGISTRY COPYRIGHT
RN 100-42-5 REGISTRY
CN Benzene, ethenyl- (9CI)
. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .
CI COMCOM
. . . . . . . . . . . . . . . . . .. . . . . . . . . . . . . . . . . .
Broad Substance ClassesBroad Substance Classes
Class Identifier (/CI)Class Identifier (/CI)
160160
Component Registry NumbersComponent Registry Numbers
161161
Component Registry Numbers (/CRN)Component Registry Numbers (/CRN) Search for substances as componentsSearch for substances as components => S 50-00-0/CRN=> S 50-00-0/CRN
Component Registry NumbersComponent Registry Numbers
162162
=> FILE REGISTRY=> S 103475-41-8L1 1=> D SCAN
IN 1H-Pyrazole-3-propanamide, 5-(4-chlorophenyl)-N-hydroxy-1-(4- methoxyphenyl)-N-methyl- (9CI)MF C20 H20 Cl N3 O3CI COM
Me
OMe
Cl
CH2CH2C NN
O
N
HO
Component Registry NumbersComponent Registry Numbers
163163
=> S 103475-41-8/CRNL2 1…
=> D SCANooo
MF C20 H20 Cl N3 O3 . Na
Me
OMe
Cl
CH2CH2C NN
O
N
HO
Na
Component Registry NumbersComponent Registry Numbers
164164
=> s 138326-66-6L1 1 138326-66-6 (138326-66-6/RN)=> d L1 ANSWER 1 OF 1 REGISTRYRN 138326-66-6 . . . . . . . . . . . . . . . . . .MF C12 H18 N2 O . C2 H4 O2 (2 components)
Component Registry NumbersComponent Registry Numbers
165165
CM 1 CRN 21930-98-3 CMF C12 H18 N2 O
Absolute stereochemistry.
i-BuNHPh
O
NH2
S
Component Registry NumbersComponent Registry Numbers
166166
CM 2 CRN 64-19-7 CMF C2 H4 O2
C CH3
O
HO
Component Registry NumbersComponent Registry Numbers
167167
=> 133183-66-1L2 1 133183-66-1 (133183-66-1/RN) => d
L2 ANSWER 1 OF 1 REGISTRYRN 133183-66-1 REGISTRYCN Acetic acid, samarium-153Sm salt (9CI) MF C2 H4 O2 . x Sm (2 components)
Component Registry NumbersComponent Registry Numbers
168168
CRN (64-19-7) (Only one RN)
C CH3
O
HO
153Sm(x)x
Component Registry NumbersComponent Registry Numbers
169169
No CRN for component consisting of only: • one nucleous• one nucleous and Hydogen
Component Registry NumbersComponent Registry Numbers
170170
=> 64-19-7/crn and 3/ncL3 2457 64-19-7/CRN AND 3/NC
=> 64-19-7/crn and pms/ciL4 2389 64-19-7/CRN AND PMS/CI
=> 64-19-7/crn and pms/ci and nc=2L5 240 64-19-7/CRN AND PMS/CI AND NC=2
Component Registry NumbersComponent Registry Numbers
171171
=> 100-42-5/crn and 79-06-1/crnL6 1721 100-42-5/CRN AND 79-06-1/CRN
=> 100-42-5/crn and 79-06-1/crn and nc=2L7 3 100-42-5/CRN AND 79-06-1/CRN AND NC=2
Component Registry NumbersComponent Registry Numbers
172172
(CH2)7
Et
HO2C
Find all RNs of this compound, and isolate, as far as possible, the stereoisomers. Find, then, all the salts, for all the retrived compounds.
Skills Practice
9,12,15-Octadecatrienoic acid
c18h30o2/mf
173173
=> fil reg
=> c18h30o2/mfL1 1536 C18H30O2/MF
=> l1 and 9,12,15 octadecatrienoicL2 26 L1 AND 9,12,15 OCTADECATRIENOIC
=> d scan
174174
=> 9,12,15 octadecatrienoic(l)(z or 9z) (notl)(e or 9e or 12e or 15e) and c18h30o2/mfL3 13 9,12,15 . . . . . . .
(CH2)7
Et
HO2CZ Z Z
CIS IsomersCIS Isomers
175175
=> 9,12,15 octadecatrienoic(l)(e or 9e) (notl)(z or 9z or 12z or 15z) and c18h30o2/mf (o L1)L4 1 9,12,15 . . . . . . . .
(CH2)7EtHO2C
E E E
TRANS IsomersTRANS Isomers
176176
=> l3 or l4L5 14 L3 OR L4 => l2 not l5L6 12 L2 NOT L5 => l6 and (z or e or 9z or 9e) L7 9 L6 AND (Z OR E OR . . .
CIS,TRANS IsomersCIS,TRANS Isomers
177177
(CH2)7
Et
HO2CE
Z Z
(CH2)7 EtHO2C
Z E E
178178
=> l6 not l7L8 3 L6 NOT L7
(CH2)7 EtHO2C CH CH CH2 CH CH CH2 CH CH
(CH2)7 EtCH CH CH2 CH CH14C CH2
O
HO CH CH
Not defined IsomersNot defined Isomers
179179
=> sel l2 rn SmartSELECT INITIATED L9 SEL L2 1- RN : 26 TERMS
=> c18h30o2/mf and 9,12,15 octadeca. .L2 26
Searching salts using RNs Searching salts using RNs
180180
=> l9/crn and nc=2 and salt L10 22 L9/CRN AND NC=2 AND SALT
(CH2)7
Et
HO2CZ Z Z
Na
Searching salts using RNs Searching salts using RNs
181181
=> c18h30o2 and octadecatrienoic and nc=2 and salt
L11 45 c18h30o2 AND . . . . .
Searching salts using MF in BI Searching salts using MF in BI
182182
=> l11 not l10L12 24 L11 NOT L10
MF RNs
MF Only
183183
9,11,13-Octadecatrienoic acid,sodium salt,(9Z,11E,13Z)
(CH2)7
n-Bu
HO2CZ E
Z
NaWhithin compounds due only to MF, there are compounds with positions of === not correct
Whithin compounds due only to MF, there are compounds with positions of === not correct
184184
Octadecatrienoic acid, sodium salt (9CI)
MF C18 H30 O2 . NaCI IDS
(CH2)16 MeHO2C
But there are also not defined compounds (IDS) perhaps interestingBut there are also not defined compounds (IDS) perhaps interesting
185185
=> l10 not l11L13 11 L10 NOT L11
RNs MF
RNs Only
186186
CN Pyridoxamine, monolinolenatemonolinolenate (salt) (8CI)
(CH2)7
Et
HO2CZ Z Z
CM 1 CRN 463-40-1463-40-1 CMF C18 H30 O2
Compound selected only with RN
187187
Find Patents in CAPlus on: Find Patents in CAPlus on: L-IBUPROFENL-IBUPROFEN
Skills Practice
188188
=> file reg
=> l-ibuprofen/cnL1 1 L-IBUPROFEN/CN => fil caplus
=> l1 and p/dt 504 L1 3801241 P/DTL2 5858 L1 AND P/DT
Component Registry NumbersComponent Registry Numbers
189189
=> fil reg=> d l1 CICI COMCI COM
=> sel l1 rn
L3 SEL L1 1- RN : 1 TERM => l3/crnL4 26 L3/CRN
Component Registry NumbersComponent Registry Numbers
190190
=> l4 and p/dtL5 11 L4 AND P/DT
=> l5 not l2L6 55 L5 NOT L2
=> fil caplus
=> l5 or l2L7 63 L5 OR L2
Component Registry NumbersComponent Registry Numbers
191191
=> fil reg
=> d l1 in IN Benzeneacetic acid, a-methyl-4-(2- methylpropyl)-, (aR)- (9CI)
=> sel l1 mf L8 SEL L1 1- MF : 1 TERM
=> l8 and (benzeneacetic acid)/hp(l)(4(w)2(w)methyl propyl)/ins.nhp
L12 9 L11 AND (BENZENEACETIC ACID)/HP(L)(4(W)2 (W)METHYLPROPYL)/INS.NHP
Component Registry NumbersComponent Registry Numbers
192192
=> sel l13 rn L14 SEL L13 1- RN : 8 TERMS => l14/crnL15 274 L14/CRN => l13 or l15L16 282 L13 OR L15
=> l12 not l1L13 8 L12 NOT L1
Component Registry NumbersComponent Registry Numbers
193193
=> fil caplus
=> l16 and p/dtL17 2046 L16 AND P/DT
=> l17 not l7L18 19881988 L17 NOT L7 => l7 not l17L19 55 L7 NOT L17
Component Registry NumbersComponent Registry Numbers
194194
File Segment (/FS)File Segment (/FS)Registry Number Locator (/LC)Registry Number Locator (/LC)Field Availibility (/FA)Field Availibility (/FA)Polymer Class Terms (/PCT)Polymer Class Terms (/PCT)References (/REF.CA)References (/REF.CA)Update Date (/UP)Update Date (/UP)
Broad Substance ClassesBroad Substance Classes
195195
File Segments (/FS)File Segments (/FS)NUCLEICNUCLEIC PROTEINPROTEINSEQUENCESEQUENCESTEREOSEARCHSTEREOSEARCH
Broad Substance ClassesBroad Substance Classes
196196
File Segments (/FS)File Segments (/FS)=> e a/fs**** START OF FIELD ****E2 7990870 3D/FSE3 0 --> A/FSE4 16718848 ACID/FSE5 7990870 CONCORD/FSE6 16718848 NS/FSE7 16718848 NUCLEIC/FSE8 1248907 PROTEIN/FSE9 1248907 PS/FSE10 17967755 SEQUENCE/FSE11 4583492 STEREOSEARCH/FS**** END OF FIELD ****
Broad Substance ClassesBroad Substance Classes
197197
Registry Number Locator (/LC)Registry Number Locator (/LC)
=> pd/elsL1 91793 PD/ELS => l1 and casreact/lc 2526739 CASREACT/LCL2 7448 L1 AND CASREACT/LC => d
Broad Substance ClassesBroad Substance Classes
198198
Registry Number Locator (/LC)Registry Number Locator (/LC)
L2 ANSWER 1 OF 7448 REGISTRY RN 389582-21-2 REGISTRYCN Palladium, [(1,2,3-. . . MF C16 H17 Br N4 PdSR CALC STN Files:CA,CAPLUS,CASREACTCASREACT
Broad Substance ClassesBroad Substance Classes
199199
Field Availibility (/FA)Field Availibility (/FA)
RSD/FARSD/FA limit search to ring-containing substanceslimit search to ring-containing substances => S L7 AND RSD/FA=> S L7 AND RSD/FA
NO RSD/FANO RSD/FA limit search to acyclic substanceslimit search to acyclic substances => S L7 AND NO RSD/FA => S L7 AND NO RSD/FA (better: => S L7 not RSD/FA)(better: => S L7 not RSD/FA)
Broad Substance ClassesBroad Substance Classes
200200
Polymer Class TermsPolymer Class Terms
Generic polymer searchingGeneric polymer searchingTwo typesTwo types
Complete term e.g.; polyamideComplete term e.g.; polyamide Formed term e.g.; polyamide formedFormed term e.g.; polyamide formed
function is formed in polymerization reaction
Broad Substance ClassesBroad Substance Classes
201201
Polymer Class TermsPolymer Class Terms
=> e a/pct**** START OF FIELD ****
E3 0 --> A/PCTE4 12018 AMINO RESIN/PCTE5 12018 AR/PCTE6 7441 CHLOROPOLYMER/PCTE7 7441 CLPO/PCTE8 575 DBLSTR/PCTE9 575 DOUBLE STRAND/PCTE10 45399 EP/PCTE11 45399 EPOXY RESIN/PCTE12 9968 FLPO/PCT
Broad Substance ClassesBroad Substance Classes
202202
. . . . . . . . . . . . . . . . . . .E59 11478 POLYACETYLENE/PCTE60 302263 POLYACRYLIC/PCT. . . . . . . . . . . . . . . . . . .E63 81752 POLYAMIDE/PCTE64 61725 POLYAMIDE FORMED/PCT. . . . . . . . . . . . . . . . . E96 33317 POLYOLEFIN/PCT => e96L1 33317 POLYOLEFIN/PCT
Broad Substance ClassesBroad Substance Classes
Polymer Class TermsPolymer Class Terms
203203
=> l1 and ("poly("?/hp or sru) 203549 "POLY("?/HP 11335 SRUL2 1068 L1 AND ("POLY("?/HP OR SRU) => d scan L2 1068 ANSWERS REGISTRY COPYRIGHT 2005 ACS on STN IN Poly(oxy-1,2-ethanediyl), -hydro--hydroxy-, polymer with 1,2-diisocyanatoethane and ethene (9CI)MF (C4 H4 N2 O2 . (C2 H4 O)n H2 O . C2 H4)x
Broad Substance ClassesBroad Substance Classes
Polymer Class TermsPolymer Class Terms
204204
Find two component polyacrylics that have entered the file between June 1, 2001 and December 31, 2001.
Isolate the non-acrylic monomers.
Polymer Class TermsPolymer Class Terms
Broad Substance ClassesBroad Substance Classes
205205
1. Retrieve new polyacrylics1. Retrieve new polyacrylics
2. Extract the monomers2. Extract the monomers
3. Remove acrylic monomers3. Remove acrylic monomers
4. Refine 4. Refine
5. Display results 5. Display results
Broad Substance ClassesBroad Substance Classes
206206
=> Fil reg
=> S POLYACRYLIC/PCT AND 2/NC AND 20010600- 20011299/ED
250425 POLYACRYLIC/PCT 2539977 2/NC 1107298 20010600-20011299/ED (20010600-20011299/ED)L1 473 POLYACRYLIC/PCT AND 2/NC AND 20010600- 20011299/ED
Entry Date (ED) format is YYYYMMDD
Broad Substance ClassesBroad Substance Classes
Is it possible to span the time with RNs?Is it possible to span the time with RNs?
207207
Broad Substance ClassesBroad Substance Classes
=> help rnyear Date Highest RN at Start Date Highest RN at Start of the Year of the Year Apr 1968 16622-15-4 Jan 1986 99602-93-4 Jan 1969 19266-84-3 Jan 1987 106016-49-3 Jan 1970 23777-27-7 Jan 1988 112087-31-7 Jan 1971 28427-77-2 Jan 1989 118203-34-2 Jan 1972 33923-68-1 Jan 1990 124508-13-0 Jan 1973 38053-94-0 Jan 1991 131232-32-1 Jan 1974 50584-17-3 Jan 1992 138207-46-2 Jan 1975 53965-72-3 Jan 1993 145163-46-8 Jan 1976 57866-58-7 Jan 1994 152057-46-0 Jan 1977 61446-10-4 Jan 1995 159909-17-8 Jan 1978 65229-06-3 Jan 1996 172015-77-9 Jan 1979 68936-58-3 Jan 1997 184695-79-2 Jan 1980 72467-42-6 Jan 1998 199381-15-2 Jan 1981 76081-80-6 Jan 1999 216431-13-9 Jan 1982 80387-00-4 Jan 2000 252063-50-6 Jan 1983 84081-56-1 Jan 2001 312487-43-7 Jan 1984 88343-58-2 Jan 2002 380148-72-1 Jan 1985 94160-44-8 Jan 2003 477930-11-3
208208
Broad Substance ClassesBroad Substance Classes=> help rnweek Update Date Highest RN Update Date Highest RN ----------- ---------- ----------- ---------- Jan 12, 2003 478784-40-6 Jul 12, 2002 438526-10-4 Jan 5, 2003 478133-69-6 Jul 5, 2002 437600-19-6 Dec 29, 2002 477761-07-2 Jun 28, 2002 435268-39-6 Dec 22, 2002 477520-59-5 Jun 23, 2002 433282-46-3 Dec 15, 2002 476300-36-4 Jun 16, 2002 431035-49-3 Dec 8, 2002 475460-75-4 Jun 9, 2002 427875-85-2 Dec 1, 2002 474745-06-7 Jun 2, 2002 424787-52-0 Nov 24, 2002 474353-54-3 May 26, 2002 421765-92-6 Nov 17, 2002 473759-27-2 May 19, 2002 418753-34-1 Nov 10, 2002 472955-11-6 May 12, 2002 414856-11-4 Nov 3, 2002 469858-87-5 May 5, 2002 411206-65-0 Oct 27, 2002 466637-52-5 Apr 28, 2002 408492-65-9 Oct 20, 2002 463296-69-7 Apr 21, 2002 406458-32-0 Oct 13, 2002 460983-97-5 Apr 14, 2002 405196-24-9 Oct 6, 2002 459408-49-2 Apr 7, 2002 404565-89-5 Sep 29, 2002 457047-85-7 Mar 31, 2002 403694-27-9 Sep 22, 2002 453594-96-2 Mar 24, 2002 402713-83-1 Sep 15, 2002 451445-11-7 Mar 17, 2002 401569-84-4 Sep 8, 2002 448182-31-8 Mar 10, 2002 400003-05-6 Aug 30, 2002 445510-21-4 Mar 3, 2002 397841-96-2 Aug 24, 2002 444843-63-4 Feb 24, 2002 395057-20-2 Aug 16, 2002 444143-26-4 Feb 17, 2002 393056-44-5 Aug 9, 2002 443534-23-4 Feb 10, 2002 391197-12-9 Aug 2, 2002 442511-89-9 Feb 3, 2002 389104-52-3 Jul 26, 2002 440626-06-2 Jan 27, 2002 387334-74-9 Jul 19, 2002 439659-48-0 Jan 20, 2002 385365-97-9
209209
=> TRANSFER 1- L1 CRN /RN
L2 TRANSFER L1 1- CRN : 542 TERMSL3 542 L2/RN
TRANSFER extracts the Component Registry Numbers (CRN) and searches them in the Registry Number (RN) field
Broad Substance ClassesBroad Substance Classes
How to remove the acrylic monomers?
210210
Broad Substance ClassesBroad Substance Classes
=> fil reg => acrylic acid/cnL4 1 ACRYLIC ACID/CN => d cn L4 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2003 ACSCN 2-Propenoic acid (9CI) (CA INDEX NAME)OTHER CA INDEX NAMES:CN Acrylic acid (6CI, 7CI, 8CI)
211211
=> S L3 NOT (?ACRYLIC?/CNS OR 2-PROPEN?) 34120 ?ACRYLIC?/CNS 12757909 2 919168 PROPEN? 774726 2-PROPEN? (2(W)PROPEN?)L4 211 L3 NOT (?ACRYLIC?/CNS OR 2-PROPEN?)
Broad Substance ClassesBroad Substance Classes
212212
References: (/REF.CA) or (/REF.CAOLD)References: (/REF.CA) or (/REF.CAOLD)
=> indol#/hp and ref.ca>50 6688 INDOL#/HP 60181 REF.CA>50L1 73 INDOL#/HP AND REF.CA>50 => d
Broad Substance ClassesBroad Substance Classes
213213
CN IndoleIndole, 3-[2-(4-piperidyl)ethyl]-(7CI). . . . . . . . . . . . . . . . . . . . .
120120 REFERENCES IN FILE CA (1967 TO DATE)
3 REFERENCES IN FILE CAOLD (PRIOR TO 1967)
Broad Substance ClassesBroad Substance Classes
References: (/REF.CA) or (/REF.CAOLD)References: (/REF.CA) or (/REF.CAOLD)
214214
=> indol#/hp and ref.caold>5 6688 INDOL#/HP 45535 REF.CAOLD>5L2 115 INDOL#/HP AND REF.CAOLD>5 => d
References: (/REF.CA) or (/REF.CAOLD)References: (/REF.CA) or (/REF.CAOLD)
Broad Substance ClassesBroad Substance Classes
215215
CN CN IndoleIndole, 3-(. . . . .. , 3-(. . . . ..
. . . . . . . . . . .. . ... . . . . . . . . . .. . ..
66 REFERENCES IN FILE CAOLD (PRIOR TO REFERENCES IN FILE CAOLD (PRIOR TO 1967)1967)
Broad Substance ClassesBroad Substance Classes
References: (/REF.CA) or (/REF.CAOLD)References: (/REF.CA) or (/REF.CAOLD)
216216
Broad Substance ClassesBroad Substance Classes
Find the compound with the greatest number Find the compound with the greatest number of references in CAPlusof references in CAPlus
217217
Broad Substance ClassesBroad Substance Classes
=> fil reg => ref.caplus>10000L1 751 REF.CAPLUS>10000 => help sortThe SORT command is used to rearrange the records in your search. . . . . . . . . . . . . . . . . . . . . => sortENTER (L1), L#, OR L# RANGE:l1SORT ENTIRE ANSWER SET? (Y)/N:.ENTER SORT FIELDS AND SORT DIRECTION (?):ref dPROCESSING COMPLETED FOR L1 L2 751 SORT L1 REF D
218218
Broad Substance ClassesBroad Substance Classes
L2 ANSWER 1 OF 751 REGISTRY COPYRIGHT 2005 ACS on STN **PROPERTY DATA AVAILABLE IN THE 'PROP' FORMAT** 477417 REFERENCES IN FILE CA (1907 TO DATE) 24859 REFERENCES TO NON-SPECIFIC DERIVATIVES IN FILE CA 477667477667 REFERENCES IN FILE CAPLUS (1907 TO DATE) 2 REFERENCES IN FILE CAOLD (PRIOR TO 1967)
Cu
219219
Find structural repeating units of fluorene-containing polymers. Not bi- or tri-fluorene.
Skills Practice
220220
1. Use left-truncation in /CNS to find1. Use left-truncation in /CNS to find fluorenes fluorenes
2. Use PMS/CI to restrict to polymers2. Use PMS/CI to restrict to polymers
3. Find SRU’s using the /HP index3. Find SRU’s using the /HP index
4. Refine results4. Refine results
221221
=> E FLUOREN/CNS 5E1 1 FLUORELLESTADITE/CNSE2 1 FLUOREMBICHIN/CNSE3 51776 --> FLUORENFLUOREN/CNSE4 2 FLUORENFLUORENACENE/CNSE5 2 FLUORENFLUORENACENEDIONE/CNS
=> E LEFT FLUORENYL/CNS 5E1 1 FLUORENSCENS/CNSE2 1 FLUORENSOVITE/CNSE3 445 --> FLUORENYLFLUORENYL/CNSE4 2 ALLYLFLUORENYLFLUORENYL/CNSE5 1 AMINOFLUORENYLFLUORENYL/CNS
222222
=> S ?FLUOREN?/CNS NOT (?BIFLUOREN ... 84521 ?FLUOREN?/CNS 238 ?BIFLUOREN?/CNS 198 ?DIFLUOREN?/CNSL1 84094 ?FLUOREN?/CNS NOT (?BIFLUOREN? OR ?DIFLUOREN?)/CNS
223223
=> S ?FLUOREN?/CNS NOT (?BIFLUOREN ... 84521 ?FLUOREN?/CNS 238 ?BIFLUOREN?/CNS 198 ?DIFLUOREN?/CNSL1 84094 ?FLUOREN?/CNS NOT (?BIFLUOREN? OR ?DIFLUOREN?)/CNS
=> S L1 AND PMS/CI L2 4548 L1 AND PMS/CI
PMS/CI to include only polymers
224224
=> S ?FLUOREN?/CNS NOT (?BIFLUOREN ... 84521 ?FLUOREN?/CNS 238 ?BIFLUOREN?/CNS 198 ?DIFLUOREN?/CNSL1 84094 ?FLUOREN?/CNS NOT (?BIFLUOREN? OR ?DIFLUOREN?)/CNS
=> S L1 AND PMS/CI L2 4548 L1 AND PMS/CI
=> S L2 AND "POLY("?/HP 176797 "POLY("?/HPL3 1333 L2 AND "POLY("?/HP
Use POLY( in quotes because parentheses are system characters
225225
=> D SCANL3 1333 ANSWERS REGISTRY COPYRIGHT 2001 ACSIN Poly(5,5-dioctylspiro[1,3-dioxane-2,9'- [9H]fluorene]-2,7-diyl) (9CI)MF (C32 H44 O2)nCI PMS
HOW MANY MORE ANSWERS DO YOU WISH TO SCAN? (1):0
Use NOT ?spiro?/CNS to remove spiro ring systems
226226
=> S L3 NOT ?SPIRO?/CNS 290697 ?SPIRO?/CNSL4 1311 L3 NOT ?SPIRO?/CNS
=> D SCANL4 1311 ANSWERS REGISTRY COPYRIGHT 2001 ACSIN Poly[Poly[(1,5-dimethoxy-3H-fluorene-2,6,7-triyl-3- ylidene)-3-methylidyne] (9CI)MF (C16 H10 O2)nCI PMS