Clascoterone
[(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate
Molecular Identity
Clascoterone
[(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate
PubChem CID: 11750009
2D Structure
Properties
C24H34O5
Molecular Formula
402.50
Molecular Weight
g/mol
402.2406
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
80.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
769
Complexity
SMILES
Canonical SMILES
SMILES: CCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)COIsomeric SMILES
SMILES: CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)C(=O)COSynonyms(20)
Clascoterone19608-29-8CB-03-01Cortexolone 17alpha-propionateWinlevibreezulaclascoteronaXN7MM8XG2M21-Hydroxy-17-(1-oxopropoxy)pregn-4-ene-3,20-dionePregn-4-ene-3,20-dione, 21-hydroxy-17-(1-oxopropoxy)-Cortodoxone 17alpha-propionate[(8R,9S,10R,13S,14S,17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoatePregn-4-ene-3,20-dione, 17,21-dihydroxy-, 17-propionateDTXSID10471883(1R,3aS,3bR,9aR,9bS,11aS)-1-(2-hydroxyacetyl)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate
Data from PubChem (NCBI)
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