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abiraterone

Go to external page http://purl.obolibrary.org/obo/CHEBI_68642

A 3beta-sterol that is androsta-5,16-dien-3beta-ol substituted at position 17 by a 3-pyridyl group. Administered as the O-acetate, it is used for treatment of metastatic castrate-resistant prostate cancer.

Term info

Label

abiraterone

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

3_STAR

INN
abiraterone [ ChemIDplus ]

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

charge

0

formula

C24H31NO

has obo namespace

chebi_ontology

has related synonym

abiraterone, (3beta)-17-(pyridin-3-yl)androsta-5,16-dien-3-ol, 17-(3-Pyridyl)androsta-5,16-dien-3beta-ol

id

CHEBI:68642

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

GZOSMCIZMLWJML-VJLLXTKPSA-N

mass

349.50900

monoisotopicmass

349.24056

smiles

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