Loteprednol Etabonate
chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
Molecular Identity
Loteprednol Etabonate
chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate
PubChem CID: 444025
Loteprednol etabonate is an 11beta-hydroxy steroid, an organochlorine compound, a steroid ester, a steroid acid ester, an etabonate ester and a 3-oxo-Delta(1),Delta(4)-steroid. It has a role as an anti-inflammatory drug. It is functionally related to a loteprednol.
2D Structure
Properties
C24H31ClO7
Molecular Formula
466.90
Molecular Weight
g/mol
466.1758
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
99.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
882
Complexity
SMILES
Canonical SMILES
SMILES: CCOC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)OCClIsomeric SMILES
SMILES: CCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)OCClSynonyms(20)
Loteprednol etabonate82034-46-6LotemaxAlrexHGP-1InveltysCDDD-5604P-5604chloromethyl (8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylateAirexDTXSID2046468CDDD 5604YEH1EZ96K6EYSUVISCDDD5604
Data from PubChem (NCBI)
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Trials and conditions connected to Loteprednol Etabonate
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