Difluocortolone valerateProduct ingredient for Difluocortolone
- Name
- Difluocortolone valerate
- Drug Entry
- Difluocortolone
Difluocortolone is a potent topical corticosteroid. It is commonly used in dermatology for the reduction of inflammation and itching. It was submitted to the FDA in July 1984 by the pharmaceutical company Schering AG.3
- Accession Number
- DBSALT001149
- Structure
Structure for Difluocortolone valerate (DBSALT001149)
- Synonyms
- Diflucortolone 21-valerate / Diflucortolone valerate
- UNII
- 1A63Z067C8
- CAS Number
- 59198-70-8
- Weight
- Average: 478.577
Monoisotopic: 478.253080585 - Chemical Formula
- C27H36F2O5
- InChI Key
- HHJIUUAMYGBVSD-YTFFSALGSA-N
- InChI
- InChI=1S/C27H36F2O5/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3/h8-9,11,15,17-18,20,22,24,32H,5-7,10,12-14H2,1-4H3/t15-,17+,18+,20+,22+,24-,25+,26+,27+/m1/s1
- IUPAC Name
- 2-[(1S,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl pentanoate
- SMILES
- [H][C@@]12C[C@@H](C)[C@H](C(=O)COC(=O)CCCC)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C
- External Links
- ChemSpider
- 82773
- ChEBI
- 31484
- ChEMBL
- CHEMBL2358130
- ZINC
- ZINC000004212943
- Wikipedia
- Diflucortolone_valerate
- Predicted Properties
Property Value Source Water Solubility 0.00631 mg/mL ALOGPS logP 3.95 ALOGPS logP 4.04 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 13.61 Chemaxon pKa (Strongest Basic) -3.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 80.67 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 123.97 m3·mol-1 Chemaxon Polarizability 50.67 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon