Ergometrine

CAS Registry Number®

60-79-7

CAS Name

Ergometrine

Molecular Formula

C19H23N3O2

Molecular Mass

325.40

Cite this Page

Ergometrine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60-79-7 (retrieved 2024-11-22) (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

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Deleted or Replaced CAS Registry Numbers

11002-48-5, 78207-83-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration