Beclomethasone propionate
[(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-1-yl] propanoate
Molecular Identity
Beclomethasone propionate
[(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-1-yl] propanoate
PubChem CID: 129628754
2D Structure
Properties
C25H33ClO7
Molecular Formula
481.00
Molecular Weight
g/mol
480.1915
Exact Mass
Da
2.1
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
972
Complexity
SMILES
Canonical SMILES
SMILES: CCC(=O)OC1=CC(=O)C=C2C1(C3(C(CC2)C4CC(C(C4(CC3O)C)(C(=O)CO)O)C)Cl)CIsomeric SMILES
SMILES: CCC(=O)OC1=CC(=O)C=C2[C@@]1([C@@]3([C@@H](CC2)[C@@H]4C[C@@H]([C@@]([C@]4(C[C@@H]3O)C)(C(=O)CO)O)C)Cl)CSynonyms(1)
beclomethasone propionate
Data from PubChem (NCBI)
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Trials and conditions connected to Beclomethasone propionate
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