Ergometrinine

CAS Registry Number®

479-00-5
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CAS Name

Ergometrinine

Molecular Formula

C19H23N3O2

Molecular Mass

325.40

Cite this Page

Ergometrinine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=479-00-5 (retrieved 2024-04-29) (CAS RN: 479-00-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    195 °C (decomp)

Source(s)

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-PLQHRBFRSA-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-, (8α)-
  • Ergoline-8α-carboxamide, 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl-
  • Ergometrinine
  • Ergoline-8-carboxamide, 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-, [8α(S)]-
  • Indolo[4,3-fg]quinoline, ergoline-8-carboxamide deriv.

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Deleted or Replaced CAS Registry Numbers

11002-47-4, 18686-35-6

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