the drug administration's special testing laboratory ...swgdrug.org/monographs/alpha-methyl...
TRANSCRIPT
Latest Revision: 1/16/2018 Page 1 of 5SWGDRUG.org/monographs.htm
alpha-methyl acetyl fentanyl The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
N
O CH3
N
CH3
1. GENERAL INFORMATION
IUPAC Name:
CAS#:
Synonyms:
Source:
Appearance:
UVmax(nm):
N-phenyl-N-[1-(1-phenylpropan-2-yl)piperidin-4-yl]acetamide
NA
acetyl-α-methyl fentanyl
DEA Reference Material Collection
white powder
NA
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
Form Chemical Formula Molecular Weight Melting Point (oC)
Base C22H28N2O 336.47 Not Determined
HCl C22H28N2O HCl 372.93 Not Determined
Latest Revision: 1/16/2018 Page 2 of 5SWGDRUG.org/monographs.htm
alpha-methyl acetyl fentanyl The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
3. QUALITATIVE DATA
3.1 NUCLEAR MAGNETIC RESONANCE
Sample Preparation: Dilute analyte to ~12mg/mL in CD3OD containing TMS for 0 ppm reference anddimethylfumarate as quantitative internal standard.
Instrument: 400 MHz NMR spectrometerParameters: Spectral width: at least containing -3 ppm through 13 ppm
Pulse angle: 90o
Delay between pulses: 45 seconds1HNMR: alpha-methyl acetyl fentanyl HCl; lot# 0496094-9; CD3OD; 400MHz
7 6 5 4 3 2 1 0
35213 3 173
TMS
CD3OD
dimethylfumarateCD3ODdimethylfumarate
7.35 7.25
7
3.35 3.25
13
CD3OD
7.55
3
3.60
3 1
1.200
3
1.851.801.75
5
2.25 2.15
2
Latest Revision: 1/16/2018 Page 3 of 5SWGDRUG.org/monographs.htm
alpha-methyl acetyl fentanyl The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY
Sample Preparation: Dilute analyte ~5 mg/mL into methanol.
Instrument:Column:Carrier Gas:Temperatures:
Agilent gas chromatograph operated in split mode with MS detector HP-5; 30m x 0.25 mm x 0.25 mHelium at 1.5 mL/minInjector: 280oCMSD transfer line: 280oCMS Source: 230oCMS Quad: 150oCOven program:
1) 100oC initial temperature for 1.0 min2) Ramp to 280oC at 12 oC/min3) Hold final temperature for 9.0 min
Injection Parameters: Split Ratio = 25:1, 1 L injectedMS Parameters: Mass scan range: 30-550 amu
Threshold: 250Tune file: stune.uAcquisition mode: scan
Retention Time: 17.005minEI Mass Spectrum: alpha-methyl acetyl fentanyl HCl; lot# 0496094-9
m/z30025020015010050
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4919191 9191919191 9191919191 9191919191 91919191
828282 8282828282 8282828282 8282828282 82828282777777 7777777777 7777777777 7777777777 77777777656565 6565656565 6565656565 6565656565 65656565585858 5858585858 5858585858 5858585858 58585858565656 5656565656 5656565656 5656565656 56565656
555555 5555555555 5555555555 5555555555 55555555434343 4343434343 4343434343 4343434343 43434343424242 4242424242 4242424242 4242424242 42424242EI+
m/z30025020015010050
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828282 8282828282 8282828282 8282828282 82828282777777 7777777777 7777777777 7777777777 77777777
676767 6767676767 6767676767 6767676767 67676767656565 6565656565 6565656565 6565656565 65656565
585858 5858585858 5858585858 5858585858 58585858565656 5656565656 5656565656 5656565656 56565656
555555 5555555555 5555555555 5555555555 55555555515151 5151515151 5151515151 5151515151 51515151
434343 4343434343 4343434343 4343434343 43434343424242 4242424242 4242424242 4242424242 42424242
EI+
Latest Revision: 1/16/2018 Page 4 of 5SWGDRUG.org/monographs.htm
alpha-methyl acetyl fentanyl The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
3.3 INFRARED SPECTROSCOPY (FTIR)
FTIR (Smart Golden Gate ATR Accessory)Instrument: Scan Parameters: Number of scans: 32
Number of background scans: 32Resolution: 4 cm-1
Sample gain: 8Aperture: 150
FTIR ATR (Diamond 1 Bounce): alpha-methyl acetyl fentanyl HCl; lot# 0496094-9
Wavenumber (cm-1)3500 3000 2500 2000 1500
%Tr
ansm
ittan
ce
60
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2413241324132413241324132413241324132413241324132413241324132413241324132413241324132413
1651165116511651165116511651165116511651165116511651165116511651165116511651165116511651
1595159515951595159515951595159515951595159515951595159515951595159515951595159515951595 1495
149514951495149514951495149514951495149514951495149514951495149514951495149514951495
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1431143114311431143114311431143114311431143114311431143114311431143114311431143114311431
1390139013901390139013901390139013901390139013901390139013901390139013901390139013901390
13811381138113811381138113811381138113811381138113811381138113811381138113811381138113811371137113711371137113711371137113711371137113711371137113711371137113711371137113711371
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1236123612361236123612361236123612361236123612361236123612361236123612361236123612361236
1155115511551155115511551155115511551155115511551155115511551155115511551155115511551155
1078107810781078107810781078107810781078107810781078107810781078107810781078107810781078
1030103010301030103010301030103010301030103010301030103010301030103010301030103010301030
964964964964964964964964964964964964964964964964964964964964964964
930930930930930930930930930930930930930930930930930930930930930930
899899899899899899899899899899899899899899899899899899899899899899
773773773773773773773773773773773773773773773773773773773773773773
756756756756756756756756756756756756756756756756756756756756756756
700700700700700700700700700700700700700700700700700700700700700700
625625625625625625625625625625625625625625625625625625625625625625
598598598598598598598598598598598598598598598598598598598598598598
590590590590590590590590590590590590590590590590590590590590590590
521521521521521521521521521521521521521521521521521521521521521521
451451451451451451451451451451451451451451451451451451451451451451
405405405405405405405405405405405405405405405405405405405405405405
Wavenumber (cm-1)1700 1600 1500 1400 1300 1200 1100 1000 900 800 700
%Tr
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1431143114311431143114311431143114311431143114311431143114311431143114311431143114311431
1390139013901390139013901390139013901390139013901390139013901390139013901390139013901390
13811381138113811381138113811381138113811381138113811381138113811381138113811381138113811371137113711371137113711371137113711371137113711371137113711371137113711371137113711371
1336133613361336133613361336133613361336133613361336133613361336133613361336133613361336 1308
1308130813081308130813081308130813081308130813081308130813081308130813081308130813081288128812881288128812881288128812881288128812881288128812881288128812881288128812881288
1250125012501250125012501250125012501250125012501250125012501250125012501250125012501250 1236
123612361236123612361236123612361236123612361236123612361236123612361236123612361236
1155115511551155115511551155115511551155115511551155115511551155115511551155115511551155
1113111311131113111311131113111311131113111311131113111311131113111311131113111311131113
1078107810781078107810781078107810781078107810781078107810781078107810781078107810781078
1049104910491049104910491049104910491049104910491049104910491049104910491049104910491049 1030
103010301030103010301030103010301030103010301030103010301030103010301030103010301030
968968968968968968968968968968968968968968968968968968968968968968964964964964964964964964964964964964964964964964964964964964964964 939
939939939939939939939939939939939939939939939939939939939939939
930930930930930930930930930930930930930930930930930930930930930930
899899899899899899899899899899899899899899899899899899899899899899
872872872872872872872872872872872872872872872872872872872872872872
849849849849849849849849849849849849849849849849849849849849849849 798
798798798798798798798798798798798798798798798798798798798798798
773773773773773773773773773773773773773773773773773773773773773773
756756756756756756756756756756756756756756756756756756756756756756
742742742742742742742742742742742742742742742742742742742742742742
708708708708708708708708708708708708708708708708708708708708708708
700700700700700700700700700700700700700700700700700700700700700700
661661661661661661661661661661661661661661661661661661661661661661
625625625625625625625625625625625625625625625625625625625625625625
598598598598598598598598598598598598598598598598598598598598598598
590590590590590590590590590590590590590590590590590590590590590590
555555555555555555555555555555555555555555555555555555555555555555
521521521521521521521521521521521521521521521521521521521521521521
496496496496496496496496496496496496496496496496496496496496496496 451
451451451451451451451451451451451451451451451451451451451451451
405405405405405405405405405405405405405405405405405405405405405405
Latest Revision: 1/16/2018 Page 5 of 5SWGDRUG.org/monographs.htm
alpha-methyl acetyl fentanyl The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
4. ADDITIONAL RESOURCES
No available literature as of 11/15/17