CHEBI:50743 - cyproterone acetate

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ChEBI Name cyproterone acetate
ChEBI ID CHEBI:50743
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:336019, CHEBI:47297, CHEBI:31451
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Formula C24H29ClO4
Net Charge 0
Average Mass 416.93736
Monoisotopic Mass 416.175
InChI InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1
InChIKey UWFYSQMTEOIJJG-FDTZYFLXSA-N
SMILES [H][C@@]12C[C@]1([H])[C@@]1(C)C(=CC2=O)C(Cl)=C[C@@]2([H])[C@]3([H])CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@]12[H]
Roles Classification
Biological Role(s): androgen antagonist
A compound which inhibits or antagonises the biosynthesis or actions of androgens.
progestin
A synthetic progestogen.
Application(s): androgen antagonist
A compound which inhibits or antagonises the biosynthesis or actions of androgens.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cyproterone acetate (CHEBI:50743) has functional parent cyproterone (CHEBI:50742)
cyproterone acetate (CHEBI:50743) has role androgen antagonist (CHEBI:35497)
cyproterone acetate (CHEBI:50743) has role progestin (CHEBI:59826)
cyproterone acetate (CHEBI:50743) is a 20-oxo steroid (CHEBI:36885)
cyproterone acetate (CHEBI:50743) is a 3-oxo-Δ4 steroid (CHEBI:47909)
cyproterone acetate (CHEBI:50743) is a acetate ester (CHEBI:47622)
cyproterone acetate (CHEBI:50743) is a chlorinated steroid (CHEBI:77175)
cyproterone acetate (CHEBI:50743) is a steroid ester (CHEBI:47880)
IUPAC Name
6-chloro-3,20-dioxo-1β,2β-dihydro-3'H-cyclopropa[1,2]pregna-4,6-dien-17-yl acetate
Synonyms Sources
acetic acid (8R,9S,10S,13S,14S,17R)-17-acetyl-6-(S)-chloro-10,13-dimethyl-3-(R)-oxo-1,2,3,8,9,10,11,12,13,14,15,16,17,20-tetradecahydro-cyclopropa[1,2]cyclopenta[a]phenanthren-17-yl ester ChEMBL
Cyproterone 17-O-acetate ChemIDplus
CYPROTERONE ACETATE PDBeChem
Brand Name Source
Apo-cyproterone Deprecated term DrugBank
Database Links Databases
766 DrugCentral
CA4 PDBeChem
Cyproterone_Acetate Wikipedia
D01368 KEGG DRUG
DB04839 DrugBank
DE1189991 Patent
US3234093 Patent
View more database links
Registry Numbers Types Sources
2342172 Beilstein Registry Number Beilstein
427-51-0 CAS Registry Number ChemIDplus
Last Modified
22 February 2017