CHEBI:50743 - cyproterone acetate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia 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 DrugBank Manual Xrefs 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