Methysergide

CAS Registry Number®

361-37-5

CAS Name

Methysergide

Molecular Formula

C21H27N3O2

Molecular Mass

353.46

Cite this Page

Methysergide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=361-37-5 (retrieved 2024-11-22) (CAS RN: 361-37-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    194-196 °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/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)/t14-,15+,19-/m1/s1

InChIKey

InChIKey=KPJZHOPZRAFDTN-ZRGWGRIASA-N

SMILES

CN1C2=C3C(C=4[C@@](CC3=C1)(N(C)C[C@H](C(N[C@@H](CC)CO)=O)C4)[H])=CC=C2

Canonical SMILES

O=C(NC(CO)CC)C1C=C2C3=CC=CC4=C3C(=CN4C)CC2N(C)C1

Other Names for this Substance

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

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Deleted or Replaced CAS Registry Numbers

746-51-0, 2016-33-3, 29987-97-1, 47478-64-8, 156558-44-0