Abiraterone acetate

CAS Registry Number®

154229-18-2

CAS Name

Abiraterone acetate

Molecular Formula

C26H33NO2

Molecular Mass

391.55

Cite this Page

Abiraterone acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=154229-18-2 (retrieved 2024-11-22) (CAS RN: 154229-18-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    144-145 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1

InChIKey

InChIKey=UVIQSJCZCSLXRZ-UBUQANBQSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, acetate (ester), (3β)-
  • CB 7630
  • Abiraterone acetate
  • Zytiga
  • (3β)-17-(3-Pyridinyl)androsta-5,16-dien-3-yl acetate

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Deleted or Replaced CAS Registry Numbers

1643848-36-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration