U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31NO4S
Molecular Weight 429.5742
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])(CC2=CC[C@@]3([H])[C@]4([H])CC=C(c5cccnc5)[C@@]4(C)CC[C@@]31[H])OS(=O)(=O)O

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 429.5742
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.044 µM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
ZYTIGA

Approved Use

ZYTIGA is a CYP17 inhibitor indicated for use in combination with prednisone for the treatment of patients with metastatic castration-resistant prostate cancer who have received prior chemotherapy containing docetaxel.

Launch Date

1.30394882E12
Substance Class Chemical
Created
by admin
on Sat Jun 26 08:36:42 UTC 2021
Edited
by admin
on Sat Jun 26 08:36:42 UTC 2021
Record UNII
WZ5U45K71V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ABIRATERONE SULFATE
Common Name English
ABIRATERONE METABOLITE M12
Common Name English
(3S,8R,9S,10R,13S,14S)-10,13-DIMETHYL-17-(PYRIDIN-3-YL)-2,3,4,7,8,9,10,11,12,13,14,15-DODECAHYDRO-1H-CYCLOPENTA(A)PHENANTHREN-3-YL HYDROGEN SULFATE
Systematic Name English
Code System Code Type Description
FDA UNII
WZ5U45K71V
Created by admin on Sat Jun 26 08:36:42 UTC 2021 , Edited by admin on Sat Jun 26 08:36:42 UTC 2021
PRIMARY
PUBCHEM
91827106
Created by admin on Sat Jun 26 08:36:42 UTC 2021 , Edited by admin on Sat Jun 26 08:36:42 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE