Structural, chemical and analytical data on controlled substances. The single reference site for forensic drug chemists. Click to login as forendex superuser Southern Association of Forensic Scientitsts
Search for a substance: Help
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
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
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
Property Value Remarks
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§ion=mediadir&cmd=detail
Spectrum E1259
THC Pharm THC-1333
Toronto Research Chemicals E599500
U.S. Pharmacopeia 1241506
Title Publication Date Vol. Iss. Page(s) Remarks
Title Publication Date Vol. Iss. Page(s) Remarks
Database ID URL
SWGDRUG Mass Spectral Library 2143
Clarke's Analysis of Drugs and Poisons 3rd Edition Pg 982
Substance name
Substance name
Please send us your comments, questions or suggestions · Collaborate with colleagues at Forendex Forum
This work is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License Updated 3 March 2017