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
Thumb
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
PubChem Compound
71414
ChemSpider
64504
ChEBI
31483
ChEMBL
CHEMBL1200545
ZINC
ZINC000004212938
PharmGKB
PA164749408
Wikipedia
Diflorasone_diacetate
Predicted Properties
PropertyValueSource
Water Solubility0.0116 mg/mLALOGPS
logP2.85ALOGPS
logP2.22ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)13.55ChemAxon
pKa (Strongest Basic)-3.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area106.97 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity120.62 m3·mol-1ChemAxon
Polarizability49.11 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon