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abiraterone acetate

Go to external page http://purl.obolibrary.org/obo/CHEBI_68639

A sterol ester obtained by formal condensation of the 3-hydroxy group of abiraterone with the carboxy group of acetic acid. A prodrug that is converted in vivo to abiraterone. Used for treatment of metastatic castrate-resistant prostate cancer.

Term info

Label

abiraterone acetate

Synonyms
  • 17-(pyridin-3-yl)androsta-5,16-dien-3beta-yl acetate
database cross reference
Subsets

3_STAR

IUPAC NAME
17-(pyridin-3-yl)androsta-5,16-dien-3beta-yl acetate [ IUPAC ]

BRAND NAME
Zytiga [ ChEBI ]

charge

0

formula

C26H33NO2

has obo namespace

chebi_ontology

has related synonym

17-(3-Pyridyl)-5,16-androstadien-3beta-acetate, (3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate, Zytiga

id

CHEBI:68639

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

UVIQSJCZCSLXRZ-UBUQANBQSA-N

mass

391.54570

monoisotopicmass

391.25113

smiles

[H][C@@]12CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=CC[C@@]21[H])c1cccnc1)OC(C)=O