Metergoline

CAS Registry Number®

17692-51-2

CAS Name

Metergoline

Molecular Formula

C25H29N3O2

Molecular Mass

403.52

Cite this Page

Metergoline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17692-51-2 (retrieved 2024-11-21) (CAS RN: 17692-51-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    146-149 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1

InChIKey

InChIKey=WZHJKEUHNJHDLS-QTGUNEKASA-N

SMILES

CN1C2=C3C([C@@]4([C@@](CC3=C1)(N(C)C[C@H](CNC(OCC5=CC=CC=C5)=O)C4)[H])[H])=CC=C2

Canonical SMILES

O=C(OCC=1C=CC=CC1)NCC2CN(C)C3CC4=CN(C5=CC=CC(=C54)C3C2)C

Other Names for this Substance

  • Carbamic acid, N-[[(8β)-1,6-dimethylergolin-8-yl]methyl]-, phenylmethyl ester
  • Carbamic acid, [(1,6-dimethylergolin-8β-yl)methyl]-, benzyl ester
  • Carbamic acid, [[(8β)-1,6-dimethylergolin-8-yl]methyl]-, phenylmethyl ester
  • Lysergamine, N-carboxy-9,10-dihydro-1-methyl-, benzyl ester
  • Indolo[4,3-fg]quinoline, carbamic acid deriv.

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration