difluprednate
[(6S,8S,9R,10S,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate
Molecular Identity
difluprednate
[(6S,8S,9R,10S,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate
PubChem CID: 443936
Difluprednate is a corticosteroid hormone and a butyrate ester.
2D Structure
Properties
C27H34F2O7
Molecular Formula
508.50
Molecular Weight
g/mol
508.2273
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
107
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
1050
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
difluprednate23674-86-4DurezolDFBADifluprednatoEpitopicDifluprednatumDifluoroprednisolone butyrate acetateS8A06QG2QEW 6309W-6309CM 9155[(6S,8S,9R,10S,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoateDTXSID0046773DTXCID8026773
Data from PubChem (NCBI)
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