ChemSpider 2D Image | Betamethasone butyrate propionate (JAN) | C29H39FO7

Betamethasone butyrate propionate (JAN)

  • Molecular FormulaC29H39FO7
  • Average mass518.614 Da
  • Monoisotopic mass518.268005 Da
  • ChemSpider ID64550

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(+)-9-Fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-butyrate 21-propionate
(11b,16b)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-dien-3,20-dione 17-butyrate 21-propionate
(11b,16b)-9-Fluoro-11-hydroxy-16-methyl-17-(1-oxobutoxy)-21-(1-oxopropoxy)pregna-1,4-dien-3,20-dione
(11β,16β)-9-Fluoro-11-hydroxy-16-methyl-17-(1-oxobutoxy)-21-(1-oxopropoxy)pregna-1,4-diene-3,20-dione
(11β,16β)-9-Fluor-11-hydroxy-16-methyl-3,20-dioxo-21-(propionyloxy)pregna-1,4-dien-17-ylbutyrat [German] [ACD/IUPAC Name]
(11β,16β)-9-Fluoro-11-hydroxy-16-methyl-3,20-dioxo-21-(propanoyloxy)pregna-1,4-dien-17-yl butanoate
(11β,16β)-9-Fluoro-11-hydroxy-16-methyl-3,20-dioxo-21-(propionyloxy)pregna-1,4-dien-17-yl butyrate [ACD/IUPAC Name]
50FH5AG9RW
5534-02-1 [RN]
Antebate [Trade name]
More...

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

TO 186 [DBID]
D02032 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 613.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.0 mmHg at 25°C
    Enthalpy of Vaporization: 104.3±6.0 kJ/mol
    Flash Point: 324.5±31.5 °C
    Index of Refraction: 1.547
    Molar Refractivity: 133.3±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.95
    ACD/LogD (pH 5.5): 4.14
    ACD/BCF (pH 5.5): 823.38
    ACD/KOC (pH 5.5): 4251.93
    ACD/LogD (pH 7.4): 4.14
    ACD/BCF (pH 7.4): 823.37
    ACD/KOC (pH 7.4): 4251.92
    Polar Surface Area: 107 Å2
    Polarizability: 52.8±0.5 10-24cm3
    Surface Tension: 48.7±5.0 dyne/cm
    Molar Volume: 420.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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