Abiraterone Acetate
[(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
Molecular Identity
Abiraterone Acetate
[(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
PubChem CID: 9821849
Abiraterone acetate can cause developmental toxicity, female reproductive toxicity and male reproductive toxicity according to state or federal government labeling requirements.
2D Structure
Properties
C26H33NO2
Molecular Formula
391.50
Molecular Weight
g/mol
391.2511
Exact Mass
Da
5.2
XLogP
Above Lipinski threshold
39.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
3
H-Bond Acceptors
739
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC=C4C5=CN=CC=C5)C)CIsomeric SMILES
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)CSynonyms(20)
Abiraterone acetate154229-18-2ZytigaCB7630CB-7630Yonsa17-(3-Pyridyl)-5,16-androstadien-3beta-acetateDTXSID3049043EM5OCB9YJ6NSC-748121NSC-74922717-(pyridin-3-yl)androsta-5,16-dien-3beta-yl acetateJNJ-212082DTXCID4028969CHEBI:68639
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Abiraterone Acetate
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