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CHEBI:50743 - cyproterone acetate

Default Structure
ChEBI IDCHEBI:50743
ChEBI Namecyproterone acetate
Stars
DefinitionA steroid ester resulting from the formal condensation of the carboxy group of acetic acid with the 17-hydroxy group of cyproterone. It is an antiandrogenic drug which has recently been recognized to promote the occurrence and growth of intracranial meningiomas.
Secondary ChEBI IDsCHEBI:31451, CHEBI:47297, CHEBI:336019
Last Modified7 October 2021
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H29ClO4
Net Charge0
Average Mass416.945
Monoisotopic Mass416.17544
SMILES[H][C@@]12C=C(Cl)C3=CC(=O)[C@]4([H])C[C@]4([H])[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1(OC(C)=O)C(C)=O
InChIInChI=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
InChIKeyUWFYSQMTEOIJJG-FDTZYFLXSA-N
Wikipedia
Roles Classification
Biological Roles:
progestin  A synthetic progestogen.
androgen antagonist  A compound which inhibits or antagonises the biosynthesis or actions of androgens.
Applications:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
androgen antagonist  A compound which inhibits or antagonises the biosynthesis or actions of androgens.
ChEBI Ontology
Outgoing Relation(s)
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 geroprotector (CHEBI:176497)
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  Source
1,2α-methylene-6-chloro-17α-acetoxy-4,6-pregnadiene-3,20-dioneChEBI
1,2α-methylene-6-chloro-pregna-4,6-diene-3,20-dione 17α-acetateChemIDplus
1,2α-methylene-6-chloro-Δ4,6-pregnadien-17α-ol-3,20-dione acetateChEBI
17α-acetoxy-6-chloro-1α,2α-methylenepregna-4,6-diene-3,20-dioneChEBI
(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetateIUPAC
(1β,2β)-17-(acetyloxy)-6-chloro-1,2-dihydro-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dioneChEBI
Brand Names  Source
AndrocurDrugBank
Apo-cyproteroneDrugBank
CyprostatChemIDplus
Manual XrefsDatabases
766DrugCentral
9496ChemSpider
CA4PDBeChem
Cyproterone_AcetateWikipedia
D01368KEGG DRUG
DB04839DrugBank
DE1189991Patent
US3234093Patent
Registry NumbersSources
Beilstein:2342172Beilstein
CAS:427-51-0ChemIDplus
Citations