loteprednol
chloromethyl (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
Molecular Identity
loteprednol
chloromethyl (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
PubChem CID: 9865442
Loteprednol is a 17alpha-hydroxy steroid, an 11beta-hydroxy steroid, an organochlorine compound, a steroid acid ester, an androstanoid and a 3-oxo-Delta(1),Delta(4)-steroid. It has a role as an antilipemic drug.
2D Structure
Properties
C21H27ClO5
Molecular Formula
394.90
Molecular Weight
g/mol
394.1547
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
83.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
745
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
loteprednol129260-79-3Z8CBU6KR16CHEBI:50848DTXSID10156128Loteprednolumchloromethyl (1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo(8.7.0.0^(2,7).0^(11,15))heptadeca-3,6-diene-14-carboxylatechloromethyl (1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-diene-14-carboxylateRefChem:58138DTXCID0078619S01BA14Loteprednol [INN:BAN]UNII-Z8CBU6KR16Loteprednol (INN)chloromethyl (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
Data from PubChem (NCBI)
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