chempirical

Betamethasone valerate

C27H37FO6CAS 2152-44-5476.59 g/mol

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OOOHOOFOH
AlcoholAlkeneAlkyl halideEsterKetone

Properties

Molecular formula
C27H37FO6
Molar mass
476.59 g/mol
Exact mass
476.2574 Da
Melting point
183–184 °C
logP
3.64Crippen estimate
Polar surface area
100.9 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
6
Stereocentres
R, S, S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
2152-44-5
SMILES
CCCCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChIKey
SNHRLVCMMWUAJD-SUYDQAKGSA-N
InChI
InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

32 names · show all
  • β-Methasone 17-valerate
  • Betnovate
  • Valisone
  • Celestoderm
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-17-[(1-oxopentyl)oxy]-, (11β,16β)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17,21-trihydroxy-16β-methyl-, 17-valerate
  • Valeric acid, 17-ester with 9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione
  • (11β,16β)-9-Fluoro-11,21-dihydroxy-16-methyl-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione
  • Betamethasone 17-valerate
  • Betnovateat
  • 9α-Fluoro-11β,21-dihydroxy-16β-methyl-17α-valeryloxypregna-1,4-diene-3,20-dione
  • Celestane V
  • Betamethasone 17α-valerate
  • Stanoval
  • Celeston valerate
  • Rinderon V
  • Betoid
  • Bedermin
  • Beta-val
  • Bextasol
  • Celestan V
  • Celestoderm V
  • Betnesol V
  • Tokuderm
  • Betneval
  • Dermosol
  • Hormezon
  • Ecoval 70
  • Dermovaleas
  • Bettamousse
  • Fuciderm
  • 9α-Fluoro-16β-methylprednisolone 17-valerate

Work with Betamethasone valerate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Clobetasol propionate25122-46-776 % similar Betamethasone dipropionate5593-20-473 % similar Betamethasone378-44-970 % similar Dexamethasone50-02-270 % similar Dexamethasone palmitate14899-36-669 % similar Triamcinolone acetonide76-25-566 % similar Triamcinolone124-94-765 % similar Clobetasol25122-41-263 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook