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
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: CCCC(=O)OC1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C(=O)COC(=O)CIsomeric SMILES
SMILES: CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C(=O)COC(=O)CSynonyms(20)
difluprednate23674-86-4DurezolDFBADifluprednatoEpitopicDifluprednatumDTXSID0046773Difluoroprednisolone butyrate acetate[(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] butanoateS8A06QG2QEW 6309W-6309CM 9155DTXCID8026773
Data from PubChem (NCBI)
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