CHEBI:50742 - cyproterone

ChEBI IDCHEBI:50742
ChEBI Namecyproterone
Stars
Last Modified7 February 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC22H27ClO3
Net Charge0
Average Mass374.908
Monoisotopic Mass374.16487
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(O)C(C)=O
InChIInChI=1S/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16-,20-,21-,22-/m0/s1
InChIKeyDUSHUSLJJMDGTE-ZJPMUUANSA-N
Roles Classification
Biological Role:
androgen antagonist  A compound which inhibits or antagonises the biosynthesis or actions of androgens.
Application:
androgen antagonist  A compound which inhibits or antagonises the biosynthesis or actions of androgens.
ChEBI Ontology
Outgoing Relation(s)
cyproterone (CHEBI:50742) has parent hydride pregnane (CHEBI:8386)
cyproterone (CHEBI:50742) has role androgen antagonist (CHEBI:35497)
cyproterone (CHEBI:50742) is a 17α-hydroxy steroid (CHEBI:35342)
cyproterone (CHEBI:50742) is a 20-oxo steroid (CHEBI:36885)
cyproterone (CHEBI:50742) is a 3-oxo-Δ4 steroid (CHEBI:47909)
cyproterone (CHEBI:50742) is a chlorinated steroid (CHEBI:77175)
cyproterone (CHEBI:50742) is a tertiary α-hydroxy ketone (CHEBI:139592)
Incoming Relation(s)
cyproterone acetate (CHEBI:50743) has functional parent cyproterone (CHEBI:50742)
IUPAC Name 
6-chloro-17-hydroxy-1β,2β-dihydro-3'H-cyclopropa[1,2]pregna-4,6-diene-3,20-dione
INNs  Source
cyproteroneChemIDplus
ciproteronaChemIDplus
cyproteronumChemIDplus
Synonyms  Source
6-Chlor-δ6-1,2-α-methylen-17-α-hydroxyprogesteronChemIDplus
CiproteroneChemIDplus
Brand Names  Source
Apo-cyproteroneDrugBank
Novo-cyproteroneDrugBank
Manual XrefsDatabases
DB04839DrugBank
DE1189991Patent
US3234093Patent
Registry NumbersSources
Beilstein:4208522Beilstein
CAS:2098-66-0ChemIDplus