25 38 3 - swgdrug.org caproate.pdf · synonyms:testosterone hexanoate source: dea reference...
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Page 1 of 5SWGDRUG.org/monographs.htmLatest Revision: 8/10/2017
Testosterone CaproateThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
1. GENERAL INFORMATION
IUPAC Name: (17)-3-oxoandrost-4-en-17-yl hexanoate
CAS#: 10312-45-5
Synonyms: Testosterone Hexanoate
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 C25H38O3 386.57 42.9
O
O
O
CH3
CH3CH3
H
H H
Page 2 of 5SWGDRUG.org/monographs.htmLatest Revision: 8/10/2017
Testosterone CaproateThe 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 ~5 mg/mL in CD3OD containing TMS for 0 ppm reference and dimethylfumarate 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: Testosterone Caproate; Lot# RM-161213-01; CD3OD; 400MHz
7 6 5 4 3 2 1 0
0
1
2
3
4
5
6
7
8
9
10
63414124211
From CD3OD From CD3OD TMSDimethylfumarate
4.65
1
5.75
1
1.225
4
2.50
2
1.10 1.00
3
2.35
4
1.50
14
0.900
6
2.15
2
1.900
1
Dimethylfumarate
Page 3 of 5SWGDRUG.org/monographs.htmLatest Revision: 8/10/2017
Testosterone CaproateThe 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 Methanol.
Instrument: Agilent gas chromatograph operated in split mode with MS detectorColumn: HP-5 MS (or equivalent); 30m x 0.25 mm x 0.25mCarrier Gas: Helium at 1.5 mL/minTemperatures: Injector: 280oC
MSD 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: 100Tune file: stune.uAcquisition mode: scan
Retention Time: 22.190 minEI Mass Spectrum: Testosterone Caproate; Lot # RM-161213-01
m/z35030025020015010050
[x 1
05 ]In
tens
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0.5
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999999 9999999999 9999999999 9999999999 99999999919191 9191919191 9191919191 9191919191 91919191
797979 7979797979 7979797979 7979797979 79797979717171 7171717171 7171717171 7171717171 71717171
555555 5555555555 5555555555 5555555555 55555555434343 4343434343 4343434343 4343434343 43434343
m/z35030025020015010050
[x 1
04 ]In
tens
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999999 9999999999 9999999999 9999999999 99999999919191 9191919191 9191919191 9191919191 91919191797979 7979797979 7979797979 7979797979 79797979717171 7171717171 7171717171 7171717171 71717171555555 5555555555 5555555555 5555555555 55555555434343 4343434343 4343434343 4343434343 43434343
Page 4 of 5SWGDRUG.org/monographs.htmLatest Revision: 8/10/2017
Testosterone CaproateThe 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 (1 bounce)Scan Parameters: Number of scans: 32
Number of background scans: 32Resolution: 4 cm-1
Sample gain: 1Aperture: 150
FTIR ATR (Diamond 1 Bounce): Testosterone Caproate; Lot # RM-161213-01
Wavenumber (cm-1)3500 3000 2500 2000 1500
%Tr
ansm
ittan
ce
30
40
50
60
70
2929292929292929292929292929292929292929292929292929292929292929292929292929292929292929
2848284828482848284828482848284828482848284828482848284828482848284828482848284828482848
1725172517251725172517251725172517251725172517251725172517251725172517251725172517251725 1664
166416641664166416641664166416641664166416641664166416641664166416641664166416641664
1617161716171617161716171617161716171617161716171617161716171617161716171617161716171617
1442144214421442144214421442144214421442144214421442144214421442144214421442144214421442 1379
137913791379137913791379137913791379137913791379137913791379137913791379137913791379
1351135113511351135113511351135113511351135113511351135113511351135113511351135113511351 1228
122812281228122812281228122812281228122812281228122812281228122812281228122812281228
1181118111811181118111811181118111811181118111811181118111811181118111811181118111811181
11171117111711171117111711171117111711171117111711171117111711171117111711171117111711171039103910391039103910391039103910391039103910391039103910391039103910391039103910391039
969969969969969969969969969969969969969969969969969969969969969969
942942942942942942942942942942942942942942942942942942942942942942
864864864864864864864864864864864864864864864864864864864864864864
776776776776776776776776776776776776776776776776776776776776776776733733733733733733733733733733733733733733733733733733733733733733687687687687687687687687687687687687687687687687687687687687687687
574574574574574574574574574574574574574574574574574574574574574574 508
508508508508508508508508508508508508508508508508508508508508508
Wavenumber (cm-1)1700 1600 1500 1400 1300 1200 1100 1000 900 800 700
%Tr
ansm
ittan
ce
30
40
50
60
70
1725172517251725172517251725172517251725172517251725172517251725172517251725172517251725 1664
166416641664166416641664166416641664166416641664166416641664166416641664166416641664
1617161716171617161716171617161716171617161716171617161716171617161716171617161716171617
1442144214421442144214421442144214421442144214421442144214421442144214421442144214421442 1379
137913791379137913791379137913791379137913791379137913791379137913791379137913791379
1351135113511351135113511351135113511351135113511351135113511351135113511351135113511351
1309130913091309130913091309130913091309130913091309130913091309130913091309130913091309
1240124012401240124012401240124012401240124012401240124012401240124012401240124012401240 1228
122812281228122812281228122812281228122812281228122812281228122812281228122812281228
1181118111811181118111811181118111811181118111811181118111811181118111811181118111811181
1117111711171117111711171117111711171117111711171117111711171117111711171117111711171117
10391039103910391039103910391039103910391039103910391039103910391039103910391039103910391004100410041004100410041004100410041004100410041004100410041004100410041004100410041004
969969969969969969969969969969969969969969969969969969969969969969
942942942942942942942942942942942942942942942942942942942942942942
864864864864864864864864864864864864864864864864864864864864864864
776776776776776776776776776776776776776776776776776776776776776776733733733733733733733733733733733733733733733733733733733733733733687687687687687687687687687687687687687687687687687687687687687687
574574574574574574574574574574574574574574574574574574574574574574 508
508508508508508508508508508508508508508508508508508508508508508
Page 5 of 5SWGDRUG.org/monographs.htmLatest Revision: 8/10/2017
Testosterone CaproateThe Drug Enforcement Administration's Special Testing and Research Laboratory
generated this monograph using structurally confirmed reference material.
https://en.wikipedia.org/wiki/Testosterone_caproate
4. ADDITIONAL RESOURCES
Wikipedia