Diflorasone diacetateProduct ingredient for Diflorasone
- Name
- Diflorasone diacetate
- Drug Entry
- Diflorasone
Diflorasone is a topical corticosteroid used to treat itching and inflammation of the skin.
- Accession Number
- DBSALT000887
- Structure
Structure for Diflorasone diacetate (DBSALT000887)
- Synonyms
- Not Available
- UNII
- 7W2J09SCWX
- CAS Number
- 33564-31-7
- Weight
- Average: 494.532
Monoisotopic: 494.211609696 - Chemical Formula
- C26H32F2O7
- InChI Key
- BOBLHFUVNSFZPJ-JOYXJVLSSA-N
- InChI
- InChI=1S/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3/t13-,17-,18-,20-,21-,23-,24-,25-,26-/m0/s1
- IUPAC Name
- 2-[(1R,2S,8S,10S,11S,13S,14R,15S,17S)-14-(acetyloxy)-1,8-difluoro-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl acetate
- SMILES
- [H][C@]1(C)C[C@@]2([H])[C@]3([H])C[C@]([H])(F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]([H])(O)C[C@]2(C)[C@@]1(OC(C)=O)C(=O)COC(C)=O
- External Links
- PubChem Compound
- 71414
- ChemSpider
- 64504
- ChEBI
- 31483
- ChEMBL
- CHEMBL1200545
- ZINC
- ZINC000004212938
- PharmGKB
- PA164749408
- Wikipedia
- Diflorasone_diacetate
- Predicted Properties
Property Value Source Water Solubility 0.0116 mg/mL ALOGPS logP 2.85 ALOGPS logP 2.22 Chemaxon logS -4.6 ALOGPS pKa (Strongest Acidic) 13.55 Chemaxon pKa (Strongest Basic) -3.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 106.97 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 120.62 m3·mol-1 Chemaxon Polarizability 49.11 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon