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Page 1 of 5SWGDRUG.org/monographs.htmLatest Revision: 07/15/14
SertralineThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
1. GENERAL INFORMATION
IUPAC Name: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen -1-amine
CAS#: 79617-96-2, 79559-97-0 (HCl)
Synonyms: Zoloft, Lustral
Source: DEA Reference Material Collection
Appearance: White powder
UVmax(nm): Not Determined
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
Form Chemical Formula Molecular Weight Melting Point (oC)
Base C17H17Cl2N 306 Not Determined
HCl C17H17Cl2NHCl
342 Not Determined
NH
Cl
Cl
CH3
Page 2 of 5SWGDRUG.org/monographs.htmLatest Revision: 07/15/14
SertralineThe 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 ~10 mg/mL inCD3OD containing TMS for 0 ppm reference andmaleic acid 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 seconds1H NMR Sertraline Hydrochloride Lot 03137-QCS-10, CD3OD, 400MHz
7 6 5 4 3 2 1 0
0
1
2
3
4
5
6
7
8
9
10
13311115
TMS
CD3OD
Maleic Acid CD3OD
7.5 7.4 7.3 7.2
0
1
2
15
6.950
1
2.3 2.2 2.1 2.0
13
4.525
1
4.200
1
2.850
3
Page 3 of 5SWGDRUG.org/monographs.htmLatest Revision: 07/15/14
SertralineThe 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 ~4 mg/mL in CHCl3.
Instrument: Agilent gas chromatograph operated in split mode with MS detectorColumn: DB-1 MS (or equivalent); 30m x 0.25 mm x 0.25 µmCarrier Gas: Helium at 1 mL/minTemperatures: Injector: 280oC MSD transfer line: 280oC MS Source: 230oC MS Quad: 150oC Oven program: 1) 100oC initial temperature for 1.0 min 2) Ramp to 300oC at 12 oC/min 3) Hold final temperature for 9.0 minInjection Parameters: Split Ratio = 20:1, 1 µL injectedMS Parameters: Mass scan range: 30-550 amu Threshold: 100 Tune file: stune.u Acquisition mode: scanRetention Time: 13.899 min
EI Mass Spectrum Sertraline HCl Lot 03137-QCS-10
m/z30025020015010050
[x 1
05 ]In
tens
ity
0.5
1.0
1.5
2.0
2.5
3.0
424242 4242424242 4242424242 4242424242 42424242515151 5151515151 5151515151 5151515151 51515151 565656 5656565656 5656565656 5656565656 56565656636363 6363636363 6363636363 6363636363 63636363
707070 7070707070 7070707070 7070707070 70707070 777777 7777777777 7777777777 7777777777 77777777
898989 8989898989 8989898989 8989898989 89898989
104
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EI+
Page 4 of 5SWGDRUG.org/monographs.htmLatest Revision: 07/15/14
SertralineThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
3.3 INFRARED SPECTROSCOPY (FTIR)
Insrument: FTIR with diamond ATR attachment (3 bounce)Scan Parameters: Number of scans: 32
Number of background scans: 32Resolution: 4 cm-1
Sample gain: 8Aperture: 150
FTIR ATR (Diamond, 3 Bounce) Sertraline HCl Lot 03137-QCS-10
Wavenumber (cm-1)3500 3000 2500 2000 1500
%Tr
ansm
ittan
ce
70
75
80
85
420420420420420420420420420420420420420420420420420420420420420420
496496496496496496496496496496496496496496496496496496496496496496
513513513513513513513513513513513513513513513513513513513513513513
623623623623623623623623623623623623623623623623623623623623623623
675675675675675675675675675675675675675675675675675675675675675675700
700700700700700700700700700700700700700700700700700700700700700764764764764764764764764764764764764764764764764764764764764764764
789789789789789789789789789789789789789789789789789789789789789789
825825825825825825825825825825825825825825825825825825825825825825
889889889889889889889889889889889889889889889889889889889889889889
9579579579579579579579579579579579579579579579579579579579579579571020102010201020102010201020102010201020102010201020102010201020102010201020102010201020
1030103010301030103010301030103010301030103010301030103010301030103010301030103010301030
1136113611361136113611361136113611361136113611361136113611361136113611361136113611361136
1213121312131213121312131213121312131213121312131213121312131213121312131213121312131213
1271127112711271127112711271127112711271127112711271127112711271127112711271127112711271
1340134013401340134013401340134013401340134013401340134013401340134013401340134013401340
1404140414041404140414041404140414041404140414041404140414041404140414041404140414041404
1470147014701470147014701470147014701470147014701470147014701470147014701470147014701470
1489148914891489148914891489148914891489148914891489148914891489148914891489148914891489
15811581158115811581158115811581158115811581158115811581158115811581158115811581158115812469
246924692469246924692469246924692469246924692469246924692469246924692469246924692469
25802580258025802580258025802580258025802580258025802580258025802580258025802580258025802615
261526152615261526152615261526152615261526152615261526152615261526152615261526152615
2671267126712671267126712671267126712671267126712671267126712671267126712671267126712671
2692269226922692269226922692269226922692269226922692269226922692269226922692269226922692
2746274627462746274627462746274627462746274627462746274627462746274627462746274627462746
2939293929392939293929392939293929392939293929392939293929392939293929392939293929392939
Wavenumber (cm-1)1700 1600 1500 1400 1300 1200 1100 1000 900 800 700
%Tr
ansm
ittan
ce
70
75
80
85
420420420420420420420420420420420420420420420420420420420420420420
447447447447447447447447447447447447447447447447447447447447447447
496496496496496496496496496496496496496496496496496496496496496496
513513513513513513513513513513513513513513513513513513513513513513
590590590590590590590590590590590590590590590590590590590590590590
623623623623623623623623623623623623623623623623623623623623623623
675675675675675675675675675675675675675675675675675675675675675675700
700700700700700700700700700700700700700700700700700700700700700
708708708708708708708708708708708708708708708708708708708708708708
764764764764764764764764764764764764764764764764764764764764764764
789789789789789789789789789789789789789789789789789789789789789789
825825825825825825825825825825825825825825825825825825825825825825
889889889889889889889889889889889889889889889889889889889889889889
922922922922922922922922922922922922922922922922922922922922922922957957957957957957957957957957957957957957957957957957957957957957
1020102010201020102010201020102010201020102010201020102010201020102010201020102010201020
1030103010301030103010301030103010301030103010301030103010301030103010301030103010301030
1061106110611061106110611061106110611061106110611061106110611061106110611061106110611061
1136113611361136113611361136113611361136113611361136113611361136113611361136113611361136
1213121312131213121312131213121312131213121312131213121312131213121312131213121312131213
1271127112711271127112711271127112711271127112711271127112711271127112711271127112711271
1340134013401340134013401340134013401340134013401340134013401340134013401340134013401340
1404140414041404140414041404140414041404140414041404140414041404140414041404140414041404
1470147014701470147014701470147014701470147014701470147014701470147014701470147014701470
1489148914891489148914891489148914891489148914891489148914891489148914891489148914891489
1581158115811581158115811581158115811581158115811581158115811581158115811581158115811581
Page 5 of 5SWGDRUG.org/monographs.htmLatest Revision: 07/15/14
SertralineThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
http://en.wikipedia.org/wiki/Sertraline
4. ADDITIONAL RESOURCES
Wikipedia
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