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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31NO4S
Molecular Weight 429.572
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ABIRATERONE SULFATE

SMILES

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OS(O)(=O)=O)[C@@H]1CC=C2C5=CN=CC=C5

InChI

InChIKey=LUQSJWRTYLGZJB-VJLLXTKPSA-N
InChI=1S/C24H31NO4S/c1-23-11-9-18(29-30(26,27)28)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/h3-5,7,13,15,18-19,21-22H,6,8-12,14H2,1-2H3,(H,26,27,28)/t18-,19-,21-,22-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H31NO4S
Molecular Weight 429.572
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
0.044 µM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
ZYTIGA
Substance Class Chemical
Record UNII
WZ5U45K71V
Record Status Validated (UNII)
Record Version