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Latest Revision:08/30/2016 SWGDRUG.org/monographs.htm Page 1 of 5 W-15 The Drug Enforcement Administration's Special Testing and Research Laboratory generated this monograph using structurally confirmed reference material. 1. GENERAL INFORMATION IUPAC Name: 4-chloro-N-[(2E)-1-(2-phenylethyl)piperidin-2-ylidene]benzenesulfonamide CAS#: 93100-99-3 Synonyms: 1-phenylethylpiperidylidene-2-(4-chlorophenyl)sulfonamide 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 19 H 21 ClN 2 O 2 S 377 123.5 N N S O O Cl
Transcript of W-15 The Drug Enforcement Administration's Special Testing ... › Monographs › W-15.pdfThe Drug...
Latest Revision:08/30/2016 SWGDRUG.org/monographs.htm Page 1 of 5
W-15The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
1. GENERAL INFORMATION
IUPAC Name: 4-chloro-N-[(2E)-1-(2-phenylethyl)piperidin-2-ylidene]benzenesulfonamide
CAS#: 93100-99-3
Synonyms: 1-phenylethylpiperidylidene-2-(4-chlorophenyl)sulfonamide
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 C19H21ClN2O2S 377 123.5
152.2
N
NS
O
O
Cl
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W-15The 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 ~15 mg/mL in CDCl3 containing TMS for 0 ppm reference and methenamine 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: W-15, Lot # RM-131001-03, 400MHz; CDCl3
8 7 6 5 4 3 2 1 0
0
1
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4
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4242222
contains CHCl3
TMSMethenamine
8.00 7.75 7.50 7.25
0
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5.0
7.5
222
contains CHCl3
3.50 3.25 3.00
242
1.90 1.80
4
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W-15The Drug Enforcement Administration's Special Testing and Research Laboratory
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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: 280oCMS Source: 230oCMS Quad: 150oCOven program:
1) 100oC initial temperature for 1.0 min2) Ramp to 300oC at 12 oC/min3) Hold final temperature for 9.0 min
Injection Parameters: Split Ratio = 20:1, 1 µL injectedMS Parameters: Mass scan range: 30-550 amu
Threshold: 100Tune file: stune.uAcquisition mode: scan
Retention Time: 19.237 minEI Mass Spectrum: W-15 Lot # RM-131001-03
19.235
m/z35030025020015010050
[x 1
05 ]In
tens
ity
0.5
1.037
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919191 9191919191 9191919191 9191919191 91919191797979 7979797979 7979797979 7979797979 79797979
777777 7777777777 7777777777 7777777777 77777777757575 7575757575 7575757575 7575757575 75757575
656565 6565656565 6565656565 6565656565 65656565636363 6363636363 6363636363 6363636363 63636363
555555 5555555555 5555555555 5555555555 55555555515151 5151515151 5151515151 5151515151 51515151
424242 4242424242 4242424242 4242424242 42424242
1700 1600 1500 1400 1300 1200 1100 1000 900 800 700 Wavenumber (cm-1) Latest Revision:08/30/2016 SWGDRUG.org/monographs.htm Page 4 of 5
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generated this monograph using structurally confirmed reference material.
3.3 INFRARED SPECTROSCOPY (FTIR)
Instrument: FTIR with diamond ATR attachment (1 bounce)Scan Parameters: Number of scans: 32
Number of background scans: 32Resolution: 4 cm-1
Sample gain: 8Aperture: 150
FTIR ATR (Diamond, 1 Bounce): W-15 Lot#RM-131001-03
Wavenumber (cm-1)3500 3000 2500 2000 1500
%Tr
ansm
ittan
ce
32
40
48
56
64
72
30843084308430843084308430843084308430843084308430843084308430843084308430843084308430843064306430643064306430643064306430643064306430643064306430643064306430643064306430643064
2937293729372937293729372937293729372937293729372937293729372937293729372937293729372937
15621562156215621562156215621562156215621562156215621562156215621562156215621562156215621487148714871487148714871487148714871487148714871487148714871487148714871487148714871487
1362136213621362136213621362136213621362136213621362136213621362136213621362136213621362
1325132513251325132513251325132513251325132513251325132513251325132513251325132513251325
1286128612861286128612861286128612861286128612861286128612861286128612861286128612861286 1269
126912691269126912691269126912691269126912691269126912691269126912691269126912691269
1240124012401240124012401240124012401240124012401240124012401240124012401240124012401240
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1014101410141014101410141014101410141014101410141014101410141014101410141014101410141014
964964964964964964964964964964964964964964964964964964964964964964
924924924924924924924924924924924924924924924924924924924924924924
820820820820820820820820820820820820820820820820820820820820820820
754754754754754754754754754754754754754754754754754754754754754754
706706706706706706706706706706706706706706706706706706706706706706
661661661661661661661661661661661661661661661661661661661661661661623623623623623623623623623623623623623623623623623623623623623623
563563563563563563563563563563563563563563563563563563563563563563
546546546546546546546546546546546546546546546546546546546546546546
465465465465465465465465465465465465465465465465465465465465465465
%Tr
ansm
ittan
ce
32
40
48
56
64
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1562156215621562156215621562156215621562156215621562156215621562156215621562156215621562
1487148714871487148714871487148714871487148714871487148714871487148714871487148714871487
14541454145414541454145414541454145414541454145414541454145414541454145414541454145414541429142914291429142914291429142914291429142914291429142914291429142914291429142914291429
14101410141014101410141014101410141014101410141014101410141014101410141014101410141014101362136213621362136213621362136213621362136213621362136213621362136213621362136213621362
1325132513251325132513251325132513251325132513251325132513251325132513251325132513251325
1300130013001300130013001300130013001300130013001300130013001300130013001300130013001300
1286128612861286128612861286128612861286128612861286128612861286128612861286128612861286 1269
126912691269126912691269126912691269126912691269126912691269126912691269126912691269
1240124012401240124012401240124012401240124012401240124012401240124012401240124012401240
1184118411841184118411841184118411841184118411841184118411841184118411841184118411841184
1157115711571157115711571157115711571157115711571157115711571157115711571157115711571157
1144114411441144114411441144114411441144114411441144114411441144114411441144114411441144
1086108610861086108610861086108610861086108610861086108610861086108610861086108610861086
1072107210721072107210721072107210721072107210721072107210721072107210721072107210721072
1030103010301030103010301030103010301030103010301030103010301030103010301030103010301030
1014101410141014101410141014101410141014101410141014101410141014101410141014101410141014
964964964964964964964964964964964964964964964964964964964964964964
924924924924924924924924924924924924924924924924924924924924924924
891891891891891891891891891891891891891891891891891891891891891891 868
868868868868868868868868868868868868868868868868868868868868868
843843843843843843843843843843843843843843843843843843843843843843 820
820820820820820820820820820820820820820820820820820820820820820
769769769769769769769769769769769769769769769769769769769769769769
754754754754754754754754754754754754754754754754754754754754754754
706706706706706706706706706706706706706706706706706706706706706706
661661661661661661661661661661661661661661661661661661661661661661623623623623623623623623623623623623623623623623623623623623623623
582582582582582582582582582582582582582582582582582582582582582582
563563563563563563563563563563563563563563563563563563563563563563
546546546546546546546546546546546546546546546546546546546546546546
521521521521521521521521521521521521521521521521521521521521521521
492492492492492492492492492492492492492492492492492492492492492492
465465465465465465465465465465465465465465465465465465465465465465 428
428428428428428428428428428428428428428428428428428428428428428
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4. ADDITIONAL RESOURCES
No Literature available as of 04/2016
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