Molecular Identity
Cyproterone Acetate
[(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate
PubChem CID: 9880
Cyproterone acetate is a 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. It has a role as a geroprotector, an androgen antagonist and a progestin. It is a 20-oxo steroid, an acetate ester, a steroid ester, a 3-oxo-Delta(4) steroid and a chlorinated steroid. It is functionally related to a cyproterone.
2D Structure
Properties
C24H29ClO4
Molecular Formula
416.90
Molecular Weight
g/mol
416.1754
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
60.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
903
Complexity
SMILES
Canonical SMILES
SMILES: CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)CIsomeric SMILES
SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)OC(=O)CSynonyms(20)
CYPROTERONE ACETATE427-51-0AndrocurCyproterone 17-O-acetateCyprostatNSC-81430SH 714SH-714Cyproterone 17alpha-acetateDTXSID50203664KM2BN5JHFSH714NSC814303'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 17-(acetyloxy)-6-chloro-1,2-dihydro-, (1beta,2beta)-DTXCID30366
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Cyproterone Acetate
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