ChemSpider 2D Image | Difluprednate | C27H34F2O7

Difluprednate

  • Molecular FormulaC27H34F2O7
  • Average mass508.552 Da
  • Monoisotopic mass508.227264 Da
  • ChemSpider ID391990
  • defined stereocentres - 8 of 8 defined stereocentres


More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(6a,11b)-21-(Acetyloxy)-6,9-difluoro-11-hydroxy-17-(1-oxobutoxy)pregna-1,4-diene-3,20-dione
(6α,11β)-21-(acetyloxy)-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl butanoate
(6α,11β)-21-Acetoxy-6,9-difluor-11-hydroxy-3,20-dioxopregna-1,4-dien-17-ylbutyrat [German] [ACD/IUPAC Name]
(6α,11β)-21-Acetoxy-6,9-difluoro-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl butyrate [ACD/IUPAC Name]
23674-86-4 [RN]
245-815-4 [EINECS]
2652
6a,9a-Difluoroprednisolone-21-acetate-17-butyrate
6a,9-Difluoro-11b,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-Acetate 17-Butyrate
6α,9-Difluoro-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate 17-butyrate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CM 9155 [DBID]
W 6309 [DBID]
D01266 [DBID]
D6288_SIGMA [DBID]
MLS000028663 [DBID]
SMR000058924 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      D07AC19 Wikidata Q736113
      P261; P262 Biosynth Q-101389
    • Bio Activity:

      Difluprednate(Durezol) is a corticosteroid, approved difluprednate for the treatment of post-operative ocular inflammation and pain. MedChem Express
      Difluprednate(Durezol) is a corticosteroid, approved difluprednate for the treatment of post-operative ocular inflammation and pain.; IC50 value:; Target: ; Difluprednate ophthalmic emulsion 0.05% is also being studied in other ocular inflammatory diseases, including a U.S. MedChem Express HY-17569
      Difluprednate(Durezol) is a corticosteroid, approved difluprednate for the treatment of post-operative ocular inflammation and pain.;IC50 value:;Target: Difluprednate ophthalmic emulsion 0.05% is also being studied in other ocular inflammatory diseases, including a U.S. Phase 3 study evaluating difluprednate for the treatment of anterior uveitis. MedChem Express HY-17569
      Others MedChem Express HY-17569

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 600.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.5±6.0 kJ/mol
Flash Point: 316.9±31.5 °C
Index of Refraction: 1.545
Molar Refractivity: 124.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.31
ACD/KOC (pH 5.5): 1282.52
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.31
ACD/KOC (pH 7.4): 1282.51
Polar Surface Area: 107 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 392.7±5.0 cm3

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