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abiraterone acetate

Structure via PubChem · Public domain (PubChem)

EntityQ27888393· pop 19· linked from 1,071 articles

abiraterone acetate

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chemical compound

Chemical data

Formula
C26H33NO2
Molecular weight
391.5 g/mol
IUPAC name
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SMILES
CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C
InChIKey
UVIQSJCZCSLXRZ-UBUQANBQSA-N
XLogP
5.2
Polar surface area
39.2 Ų
H-bond donors
0
H-bond acceptors
3
Formal charge
0

via PubChem

Drug data · ChEMBL

Max clinical phase
Approved
Molecule type
Small molecule
First approval
2011
Admin. routes
oral
Indications
prostate carcinoma, prostate adenocarcinoma, metastatic prostate cancer, liver disease

via ChEMBL · EBI

Wikidata facts

Has part
abiraterone
Mass
391.25112929600004
Show 4 more facts
isomeric SMILES
CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C
chemical formula
C₂₆H₃₃NO₂
canonical SMILES
CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC=C4C5=CN=CC=C5)C)C
Commons category
Abiraterone acetate
Sources (6)

via Wikidata · CC0