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«Ergotamine»
CSA Names: Ergotamine
CSA Location: Listed Chemicals Section (a) Subsection (5) DEA code 8676
CSA History: 54 FR 6144 proposed to add on 8 Feb 1989
54 FR 31657 added effective 1 Aug 1989
Names: (5ʹα)-5ʹ-Benzyl-12ʹ-hydroxy-2ʹ-methyl-3ʹ,6ʹ,18-trioxoergotaman (IUPAC)
Molecular formula: C33H35N5O5
Nominal mass: 581
Average mass: 581.6615
Monoisotopic mass: 581.263819
CAS registry number: 113-15-5
ChemSpider: 7930
PubChem: 8223
Wikipedia: Ergotamine
Erowid: Ergot
Drugs-Forum:
Bluelight:
Standard InChI: InChI=1S/C33H35N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)/t21-,25-,26+,27+,32-,33+/m1/s1
Standard InChI key: XCGSFFUVFURLIX-VFGNJEKYSA-N
SMILES: O=C([C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)N[C@]1(C)O[C@@]2(N(C1=O)[C@@H](Cc1ccccc1)C(=O)N1[C@H]2CCC1)O
Tags: USCSA,ergoline
 
Property Value Remarks
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Location Type Remarks
Ergotamine Tartrate atr.pdf ATR IR Thermo Nicolet
Ergotamine MS (NIST).pdf EI MS Used with the permission of 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.
Ergotamine.pdf EI MS UV FTIR Used with permission of CND Analytical. From "Analytical Profiles of the Hallucinogens"
Vendor ID URL
Lipomed ERG-803-TA http://www.lipomed.com/index.php?eid=204§ion=mediadir&cmd=detail
Sigma Aldrich 45510 http://www.sigmaaldrich.com/catalog/ProductDetail.do?lang=en&N4=45510|ALDRICH&N5=SEARCH_CONCAT_PNO|BRAND_KEY&F=SPEC
Sigma Aldrich 45512 http://www.sigmaaldrich.com/catalog/ProductDetail.do?lang=en&N4=45512|FLUKA&N5=SEARCH_CONCAT_PNO|BRAND_KEY&F=SPEC
Spectrum E1259 https://www.spectrumchemical.com/OA_HTML/chemical-products_Ergotamine-Tartrate-DEA-List-I-Chemical-USP_E1259.jsp?minisite=10020&respid=22372
THC Pharm THC-1333 https://biochem.thc-pharm.de/product_info.php?cPath=13&products_id=37
Toronto Research Chemicals E599500 http://www.trc-canada.com/detail.php?CatNum=E599500
U.S. Pharmacopeia 1241506 http://store.usp.org/OA_HTML/ibeCCtpItmDspRte.jsp?sitex=10020:22372:US&item=18801
Title Publication Date Vol. Iss. Page(s) Remarks
Title Publication Date Vol. Iss. Page(s) Remarks
Database ID URL
SWGDRUG Mass Spectral Library 2143 http://www.swgdrug.org/ms.htm
Clarke's Analysis of Drugs and Poisons 3rd Edition Pg 982
Substance name
Substance name
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