ChemSpider 2D Image | Betamethasone dipropionate | C28H37FO7

Betamethasone dipropionate

  • Molecular FormulaC28H37FO7
  • Average mass504.588 Da
  • Monoisotopic mass504.252319 Da
  • ChemSpider ID20490
  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11b,16b)-9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione 17,21-Dipropionate
(11β,16β)-9-Fluor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17,21-diyl-dipropanoat [German] [ACD/IUPAC Name]
(11β,16β)-9-Fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate [ACD/IUPAC Name]
(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluor-11-hydroxy-10,13,16-trimethyl-3-oxo-17-[(propanoyloxy)acetyl]-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-ylpropanoat [German]
(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-[(propanoyloxy)acetyl]-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl propanoate
227-005-2 [EINECS]
5593-20-4 [RN]
Betamethasone dipropionate [BAN] [JAN] [USAN] [Wiki]

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

BRN 3638108 [DBID]
D01637 [DBID]
nchembio747-comp12 [DBID]
S 3440 [DBID]
S-3440 [DBID]
Sch 11460 [DBID]
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Target Organs:

      Glucocorticoid Receptor inhibitor TargetMol T1559
    • Chemical Class:

      A steroid ester that is betamethasone in which the hydroxy hydrogens at positions 17 and 21 are replaced by propanoyl groups. It is used in combination with calcipotriene hydrate, a synthetic vitamin D analogue, for the topical treatment of plaque psoriasis in adult patients. ChEBI CHEBI:31276
    • Bio Activity:

      Antiinflammatory; Zerenex Molecular [ZBioX-0504]
      Endocrinology/ Hormones TargetMol T1559
      Glucocorticoid Receptor TargetMol T1559

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.9±6.0 kJ/mol
Flash Point: 318.6±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 128.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 389.01
ACD/KOC (pH 5.5): 2485.98
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 389.01
ACD/KOC (pH 7.4): 2485.97
Polar Surface Area: 107 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 404.0±5.0 cm3

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