Methylergometrine

CAS Registry Number®

113-42-8
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CAS Name

Methylergometrine

Molecular Formula

C20H25N3O2

Molecular Mass

339.43

Cite this Page

Methylergometrine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=113-42-8 (retrieved 2024-04-19) (CAS RN: 113-42-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1

InChIKey

InChIKey=UNBRKDKAWYKMIV-QWQRMKEZSA-N

SMILES

CN1[C@]2(C(C=3C=4C(C2)=CNC4C=CC3)=C[C@@H](C(N[C@@H](CC)CO)=O)C1)[H]

Canonical SMILES

O=C(NC(CO)CC)C1C=C2C=3C=CC=C4NC=C(C43)CC2N(C)C1

Other Names for this Substance

  • Ergoline-8-carboxamide, 9,10-didehydro-N-[(1S)-1-(hydroxymethyl)propyl]-6-methyl-, (8β)-
  • Ergoline-8β-carboxamide, 9,10-didehydro-N-[(S)-1-(hydroxymethyl)propyl]-6-methyl-
  • Ergoline-8-carboxamide, 9,10-didehydro-N-[1-(hydroxymethyl)propyl]-6-methyl-, [8β(S)]-
  • Lysergamide, N-[(S)-1-(hydroxymethyl)propyl]-
  • Indolo[4,3-fg]quinoline, ergoline-8-carboxamide deriv.

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Deleted or Replaced CAS Registry Numbers

479-03-8, 29477-86-9, 29589-73-9, 78207-86-0

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