Sertraline - SWGDRUG · Sertraline The Drug Enforcement Administration's Special Testing and...
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Page 1 of 5 SWGDRUG.org/monographs.htm Latest Revision: 07/15/14 Sertraline The 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 UV max (nm): Not Determined 2. CHEMICAL AND PHYSICAL DATA 2.1 CHEMICAL DATA Form Chemical Formula Molecular Weight Melting Point ( o C) Base C 17 H 17 Cl 2 N 306 Not Determined HCl C 17 H 17 Cl 2 N HCl 342 Not Determined N H Cl Cl CH 3
Transcript of Sertraline - SWGDRUG · Sertraline The Drug Enforcement Administration's Special Testing and...
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
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13311115
TMS
CD3OD
Maleic Acid CD3OD
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0
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6.950
1
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13
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1
4.200
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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
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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
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EI+
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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
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420420420420420420420420420420420420420420420420420420420420420420
496496496496496496496496496496496496496496496496496496496496496496
513513513513513513513513513513513513513513513513513513513513513513
623623623623623623623623623623623623623623623623623623623623623623
675675675675675675675675675675675675675675675675675675675675675675700
700700700700700700700700700700700700700700700700700700700700700764764764764764764764764764764764764764764764764764764764764764764
789789789789789789789789789789789789789789789789789789789789789789
825825825825825825825825825825825825825825825825825825825825825825
889889889889889889889889889889889889889889889889889889889889889889
9579579579579579579579579579579579579579579579579579579579579579571020102010201020102010201020102010201020102010201020102010201020102010201020102010201020
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15811581158115811581158115811581158115811581158115811581158115811581158115811581158115812469
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2939293929392939293929392939293929392939293929392939293929392939293929392939293929392939
Wavenumber (cm-1)1700 1600 1500 1400 1300 1200 1100 1000 900 800 700
%Tr
ansm
ittan
ce
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496496496496496496496496496496496496496496496496496496496496496496
513513513513513513513513513513513513513513513513513513513513513513
590590590590590590590590590590590590590590590590590590590590590590
623623623623623623623623623623623623623623623623623623623623623623
675675675675675675675675675675675675675675675675675675675675675675700
700700700700700700700700700700700700700700700700700700700700700
708708708708708708708708708708708708708708708708708708708708708708
764764764764764764764764764764764764764764764764764764764764764764
789789789789789789789789789789789789789789789789789789789789789789
825825825825825825825825825825825825825825825825825825825825825825
889889889889889889889889889889889889889889889889889889889889889889
922922922922922922922922922922922922922922922922922922922922922922957957957957957957957957957957957957957957957957957957957957957957
1020102010201020102010201020102010201020102010201020102010201020102010201020102010201020
1030103010301030103010301030103010301030103010301030103010301030103010301030103010301030
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1340134013401340134013401340134013401340134013401340134013401340134013401340134013401340
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1581158115811581158115811581158115811581158115811581158115811581158115811581158115811581
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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
