Abiraterone

CAS Registry Number®

154229-19-3

CAS Name

Abiraterone

Molecular Formula

C24H31NO

Molecular Mass

349.51

Cite this Page

Abiraterone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=154229-19-3 (retrieved 2024-11-21) (CAS RN: 154229-19-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    227-228 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1

InChIKey

InChIKey=GZOSMCIZMLWJML-VJLLXTKPSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](O)CC4)(CC1)[H])[H])(CC=C2C=5C=CC=NC5)[H]

Canonical SMILES

OC1CC2=CCC3C4CC=C(C=5C=NC=CC5)C4(C)CCC3C2(C)CC1

Other Names for this Substance

  • Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, (3β)-
  • (3β)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol
  • CB 7598
  • Abiraterone
  • 17-(3-Pyridinyl)-androsta-5,16-dien-3β-ol

Deleted or Replaced CAS Registry Numbers

2841402-16-0

CAS INSIGHTSTM
Targeted protein degrader structure, illustration