Ergometrine
CAS Registry Number®
60-79-7
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CAS Name
ErgometrineMolecular Formula
C19H23N3O2Molecular Mass
325.40Cite this Page
Ergometrine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=60-79-7 (retrieved ) (CAS RN: 60-79-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
162 °C
Source(s)
- (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
Other Names and Identifiers
InChI
InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1
InChIKey
InChIKey=WVVSZNPYNCNODU-XTQGRXLLSA-N
SMILES
CN1[C@]2(C(C=3C=4C(C2)=CNC4C=CC3)=C[C@@H](C(N[C@H](CO)C)=O)C1)[H]
Canonical SMILES
O=C(NC(C)CO)C1C=C2C=3C=CC=C4NC=C(C43)CC2N(C)C1
Other Names for this Substance
- Ergoline-8-carboxamide, 9,10-didehydro-N-[(1S)-2-hydroxy-1-methylethyl]-6-methyl-, (8β)-
- Ergoline-8β-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl-
- Lysergamide, N-[(S)-2-hydroxy-1-methylethyl]-
- Indolo[4,3-fg]quinoline, ergoline-8-carboxamide deriv.
- (8β)-9,10-Didehydro-N-[(1S)-2-hydroxy-1-methylethyl]-6-methylergoline-8-carboxamide
Deleted or Replaced CAS Registry Numbers
11002-48-5, 78207-83-7
