urb-602 - swgdrug · 2014. 1. 18. · tic: urb-602 lot 0438099-15 4 6 8 10 12 14 16 18 20 retention...
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![Page 1: URB-602 - SWGDRUG · 2014. 1. 18. · TIC: URB-602 Lot 0438099-15 4 6 8 10 12 14 16 18 20 Retention Time (min) [x 10 6] TIC 0 0.5 1.0 1.5 2.0 2.5 9.330 16.766 TIC (EI+) GC/MS Analytical](https://reader035.vdocuments.mx/reader035/viewer/2022071114/5feae70ad40ee3657c1e6bc9/html5/thumbnails/1.jpg)
URB-602The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 1 of 6SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
Form Chemical Formula Molecular Weight Melting Point (oC)
Base C19H21NO2 295 124.9
NH
OO
1. GENERAL INFORMATION
IUPAC Name: cyclohexyl biphenyl-3-yl carbamate
CAS#: 565460-15-3
Synonyms: [1,1'-biphenyl]-3-yl-carbamic acid, cyclohexyl ester
Source: DEA Reference Material Collection
Appearance: White powder
UVmax(nm): 235.8
2. CHEMICAL AND PHYSICAL DATA
2.1 CHEMICAL DATA
![Page 2: URB-602 - SWGDRUG · 2014. 1. 18. · TIC: URB-602 Lot 0438099-15 4 6 8 10 12 14 16 18 20 Retention Time (min) [x 10 6] TIC 0 0.5 1.0 1.5 2.0 2.5 9.330 16.766 TIC (EI+) GC/MS Analytical](https://reader035.vdocuments.mx/reader035/viewer/2022071114/5feae70ad40ee3657c1e6bc9/html5/thumbnails/2.jpg)
URB-602The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 2 of 6SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
3. QUALITATIVE DATA
3.1 NUCLEAR MAGNETIC RESONANCE
Method NMR CD3OD
Sample Preparation: Dilute analyte to ~5 mg/mL inCD3OD 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 seconds
Chemical Shift (ppm)8 7 6 5 4 3 2
0
0.5
1.0
1.5
2.0
2.5
6221621
1H NMR: URB-602; Lot 0438099-15; CD3OD; 400 MHz
Chemical S...
1
Chemical Shift (ppm)7.7 7.6 7.5
0
2.5
5.0
7.5
621
Chemical Shift (ppm)
00.51.01.52.0
622
ISTD
![Page 3: URB-602 - SWGDRUG · 2014. 1. 18. · TIC: URB-602 Lot 0438099-15 4 6 8 10 12 14 16 18 20 Retention Time (min) [x 10 6] TIC 0 0.5 1.0 1.5 2.0 2.5 9.330 16.766 TIC (EI+) GC/MS Analytical](https://reader035.vdocuments.mx/reader035/viewer/2022071114/5feae70ad40ee3657c1e6bc9/html5/thumbnails/3.jpg)
URB-602The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 3 of 6SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013m/z25020015010050
[x 1
04 ]In
tens
ity
0.5
1.0
1.5
39
55
67
8388
9610
1
115
139
169
195
213
267
282
295
EI+
EI Mass Spectrum: URB-602 Lot 0438099-15
3.2 Gas Chromatography/Mass Spectrometry
Sample Preparation: Dilute analyte ~1 mg/mL base extracted into chloroform.
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: URB-602: 16.766 minutes; possible breakdown at 9.330 minutes
![Page 4: URB-602 - SWGDRUG · 2014. 1. 18. · TIC: URB-602 Lot 0438099-15 4 6 8 10 12 14 16 18 20 Retention Time (min) [x 10 6] TIC 0 0.5 1.0 1.5 2.0 2.5 9.330 16.766 TIC (EI+) GC/MS Analytical](https://reader035.vdocuments.mx/reader035/viewer/2022071114/5feae70ad40ee3657c1e6bc9/html5/thumbnails/4.jpg)
URB-602The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 4 of 6SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
EI Mass Spectrum: URB-602 possible breakdown Lot 0438099-15
m/z180160140120100806040
[x 1
04 ]In
tens
ity
0.5
1.0
32 51 63
88 115
139
140
152
166
167
195
196
EI+
TIC: URB-602 Lot 0438099-15
Retention Time (min)201816141210864
[x 1
06 ]TI
C
0
0.5
1.0
1.5
2.0
2.5
9.3309.3309.3309.3309.3309.3309.3309.3309.3309.3309.3309.3309.3309.3309.3309.3309.3309.3309.3309.3309.3309.330
16.76616.76616.76616.76616.76616.76616.76616.76616.76616.76616.76616.76616.76616.76616.76616.76616.76616.76616.76616.76616.76616.766
TIC (EI+)
GC/MS Analytical Observation:
The GC/MS TIC of URB-602 shows two peaks (shown above). The major peak, having a retentiontime of 16.766 minutes, is URB-602 while the other peak, with a retention time of 9.330 minutes is mostlikely a breakdown product resulting from cleavage of the cyclohexanol group on the molecule.
![Page 5: URB-602 - SWGDRUG · 2014. 1. 18. · TIC: URB-602 Lot 0438099-15 4 6 8 10 12 14 16 18 20 Retention Time (min) [x 10 6] TIC 0 0.5 1.0 1.5 2.0 2.5 9.330 16.766 TIC (EI+) GC/MS Analytical](https://reader035.vdocuments.mx/reader035/viewer/2022071114/5feae70ad40ee3657c1e6bc9/html5/thumbnails/5.jpg)
URB-602The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 5 of 6SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
Wavenumber (cm-1)3500 3000 2500 2000 1500
%Tr
ansm
ittan
ce
32
40
48
56
64
72
80
442459
613694750
769839
887904
9551016
10611097
11921213
12341271
12841319
13351421
14541500
155115951693
1718
28562928
3315
FTIR ATR (Diamond, 3 Bounce): URB-602 Lot # 0438099-15
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
![Page 6: URB-602 - SWGDRUG · 2014. 1. 18. · TIC: URB-602 Lot 0438099-15 4 6 8 10 12 14 16 18 20 Retention Time (min) [x 10 6] TIC 0 0.5 1.0 1.5 2.0 2.5 9.330 16.766 TIC (EI+) GC/MS Analytical](https://reader035.vdocuments.mx/reader035/viewer/2022071114/5feae70ad40ee3657c1e6bc9/html5/thumbnails/6.jpg)
URB-602The Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
Page 6 of 6SWGDRUG.org/monographs.htmLatest Revision: 12/16/2013
http://en.wikipedia.org/wiki/URB602
http://forendex.southernforensic.org/index.php/detail/index/1154
Wavenumber (cm-1)1700 1600 1500 1400 1300 1200 1100 1000 900 800 700
%Tr
ansm
ittan
ce
32
40
48
56
64
72
415442
459509538
613642
694750769
800839
887904
955995
10161061
1097
117111921213
12341271
12841319
13351369
14211454
14791500
15511574
159516931718
FTIR ATR (Diamond, 3 Bounce): URB-602 Lot # 0438099-15
4. ADDITIONAL RESOURCES
Forendex
Wikipedia