difluprednate   

GtoPdb Ligand ID: 7474

Synonyms: DFBA | Durezol® | W-6309
difluprednate is an approved drug (FDA (2008))
Comment: Difluprednate is a corticosteroid with antiinflammatory action.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 106.97
Molecular weight 508.23
XLogP 2.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCCC(=O)OC1(CCC2C1(C)CC(O)C1(C2CC(C2=CC(=O)C=CC12C)F)F)C(=O)COC(=O)C
Isomeric SMILES CCCC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2C[C@@H](C2=CC(=O)C=C[C@]12C)F)F)C(=O)COC(=O)C
InChI InChI=1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1
InChI Key WYQPLTPSGFELIB-JTQPXKBDSA-N
Classification
Compound class Natural product or derivative
Approved drug? Yes (FDA (2008))
IUPAC Name
[(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
International Nonproprietary Names
INN number INN
2652 difluprednate
Synonyms
DFBA | Durezol® | W-6309
Database Links
CAS Registry No. 23674-86-4
ChEBI CHEBI:31485
ChEMBL Ligand CHEMBL1201749
DrugBank Ligand DB06781
DrugCentral Ligand 3142
GtoPdb PubChem SID 187051777
PubChem CID 443936
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Wikipedia Difluprednate