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«Thebaine»
Thebaine
CSA Names: Thebaine
CSA Location: Schedule II Section (b) Subsection (1.0)(xvii) DEA code 9333
CSA History: 36 FR 16119 proposed to add on 19 Aug 1971
36 FR 19116 added effective 29 Sep 1971
Names: (5α)-3,6-Dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5-epoxymorphinan (IUPAC ACD/Name)
Molecular formula: C19H21NO3
Nominal mass: 311
Average mass: 311.3749
Monoisotopic mass: 311.152144
CAS registry number: 115-37-7
ChemSpider: 4481822
PubChem: 5324289
Wikipedia: Thebaine
Erowid: Poppy
Standard InChI: InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1
Standard InChIKey: FQXXSQDCDRQNQE-VMDGZTHMSA-N
SMILES: CN1CC[C@]23C4=CC=C([C@H]3Oc3c(ccc(C[C@@H]14)c23)OC)OC
Tags: USCSA
 
Property Value Remarks
Property Value Remarks
Location Type Remarks
Thebaine atr.pdf ATR IR Thermo Nicolet
Thebaine MS.png EI MS Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
Thebaine.pdf Ei MS UV FTIR Used with permission of CND Analytical. From "Analytical Profiles of the Narcotic Analgesics"
Thebaine IRD.bmp GC IRD Used with Permission of Oklahoma State Bureau of Investigation, Forensic Science Center, Controlled Substances Laboratory.
thebaine-Mass.jdx mass spectrum NIST Mass Spectrometry Data Center Collection (C) 2008 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Vendor ID URL
Cerilliant NMID731B http://www.cerilliant.com/shoponline/Item_Details.aspx?itemno=808db7ee-80be-4954-bbad-c9c00381ac40
Grace Davison (Alltech) 01807 http://www.discoverysciences.com/uploadedFiles/Library/Technical_Literature/Brochures/B505A_Drug_Catalog_LR_04_17_09.pdf
Lipomed C-398-FB http://www.lipomed.com/diagnostics/ref/?C-398-FB
Sigma Aldrich T2019 http://www.sigmaaldrich.com/catalog/ProductDetail.do?lang=en&N4=T2019|SIGMA&N5=SEARCH_CONCAT_PNO|BRAND_KEY&F=SPEC
Toronto Research Chemicals T342450 http://www.trc-canada.com/detail.php?CatNum=T342450
Title Publication Date Vol. Iss. Page(s) Remarks
Title Publication Date Vol. Iss. Page(s) Remarks
Database ID URL
SWGDRUG Mass Spectral Library 2071 http://www.swgdrug.org/ms.htm
Clarke's Analysis of Drugs and Poisons 3rd Edition Pg 1616
Mass Spectra of Designer Drugs 2010
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