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ChemSpider 2D Image | Fluticasone furoate | C27H29F3O6S

Fluticasone furoate

  • Molecular FormulaC27H29F3O6S
  • Average mass538.576 Da
  • Monoisotopic mass538.163696 Da
  • ChemSpider ID8030195
  • defined stereocentres - 9 of 9 defined stereocentres


More details:



Featured data source



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

(6α,11β,16α,17α)-6,9-Difluor-17-{[(fluormethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl-2-furoat [German] [ACD/IUPAC Name]
(6α,11β,16α,17α)-6,9-Difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate [ACD/IUPAC Name]
2-Furancarboxylic acid, (6α,11β,16α,17α)-6,9-difluoro-17-[[(fluoromethyl)thio]carbonyl]-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl ester [ACD/Index Name]
2-Furoate de (6α,11β,16α,17α)-6,9-difluoro-17-{[(fluorométhyl)sulfanyl]carbonyl}-11-hydroxy-16-méthyl-3-oxoandrosta-1,4-dién-17-yle [French] [ACD/IUPAC Name]
397864-44-7 [RN]
8521
Avamys [Trade name]
Ennhale [Trade name]
Fluticasone furoate [INN] [USAN] [Wiki]
fluticasonum furoas [Latin] [INN]
More...

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

GSK 685698 [DBID]
GW685698X [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      R01AD12 Wikidata Q2166700
      R03BA09 Wikidata Q2166700
    • Chemical Class:

      A trifluorinated corticosteroid that consists of 6<stereo>alpha</stereo>,9-difluoro-11<stereo>beta</stereo>,17<stereo>alpha</stereo>-dihydroxy-17<stereo>beta</stereo>-{[(fluoromethyl)sulfanyl]carbonyl }-16-methyl-3-oxoandrosta-1,4-diene bearing a 2-furoyl substituent at position 17. Used in combination with vilanterol trifenate for treatment of bronchospasm associated with chronic obstructive pulmo nary disease. ChEBI CHEBI:74899
      A trifluorinated corticosteroid that consists of 6alpha,9-difluoro-11beta,17alpha-dihydroxy-17beta-{[(fluoromethyl)sulfanyl]carbonyl; }-16-methyl-3-oxoandrosta-1,4-diene bearing a 2-furoyl substituent at position 17. Used in combination with vilanterol trifenate for treatment of bronchospasm associated with chronic obstructive pulmonary disease. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:74899

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

Density: 1.4±0.1 g/cm3
Boiling Point: 625.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 331.9±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 129.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 475.81
ACD/KOC (pH 5.5): 2871.51
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 475.81
ACD/KOC (pH 7.4): 2871.49
Polar Surface Area: 119 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 53.2±5.0 dyne/cm
Molar Volume: 385.7±5.0 cm3

Click to predict properties on the Chemicalize site






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