difluprednate   Click here for help

GtoPdb Ligand ID: 7474

Synonyms: DFBA | Durezol® | W-6309
Approved drug Immunopharmacology Ligand
difluprednate is an approved drug (FDA (2008))
Compound class: Synthetic organic
Comment: Difluprednate is a corticosteroid with antiinflammatory action.
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2008))
IUPAC Name Click here for help
[(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 Click here for help
INN number INN
2652 difluprednate
Synonyms Click here for help
DFBA | Durezol® | W-6309
Database Links Click here for help
Specialist databases
Reactome Drug Reactome logo R-ALL-9678865
Reactome Reaction Reactome logo R-HSA-9678925
Other databases
CAS Registry No. 23674-86-4
ChEMBL Ligand CHEMBL1201749
DrugBank Ligand DB06781
DrugCentral Ligand 3142
GtoPdb PubChem SID 187051777
PubChem CID 443936
Search Google for chemical match using the InChIKey WYQPLTPSGFELIB-JTQPXKBDSA-N
Search Google for chemicals with the same backbone WYQPLTPSGFELIB
Search PubMed clinical trials difluprednate
Search PubMed titles difluprednate
Search PubMed titles/abstracts difluprednate
UniChem Compound Search for chemical match using the InChIKey WYQPLTPSGFELIB-JTQPXKBDSA-N
UniChem Connectivity Search for chemical match using the InChIKey WYQPLTPSGFELIB-JTQPXKBDSA-N
Wikipedia Difluprednate