CAS Registry Number®
154229-18-2
CAS Name
Abiraterone acetate
Molecular Formula
C26H33NO2
Molecular Mass
391.55
Compound Properties
-
Melting Point (1)
144-145 °C
Source(s)
- (1) Haidar, Samer; Archiv der Pharmazie (Weinheim, Germany), (2003), 335(11-12), 526-534, CAplus
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
- (3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
- Yonsa
Deleted or Replaced CAS Registry Numbers
1643848-36-5
