chempirical

Flumetasone

C22H28F2O5CAS 2135-17-3410.46 g/mol

Open in Covalent MOL file
FOFOHHOOHO
AlcoholAlkeneAlkyl halideKetone

Properties

Molecular formula
C22H28F2O5
Molar mass
410.46 g/mol
Exact mass
410.1905 Da
Melting point
202–204 °C
logP
1.84Crippen estimate
Polar surface area
94.8 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
2
Stereocentres
R, S, S, S, S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
2135-17-3
SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
InChIKey
WXURHACBFYSXBI-GQKYHHCASA-N
InChI
InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1

Weigh it out

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

Names and synonyms

24 names · show all
  • Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,17,21-trihydroxy-16-methyl-, (6α,11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,17,21-trihydroxy-16α-methyl-
  • (6α,11β,16α)-6,9-Difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • U 10974
  • 6α,9α-Difluoro-16α-methylprednisolone
  • 6α,9-Difluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione
  • Flumethasone
  • 6α-Fluorodexamethasone
  • 6α,9α-Difluoro-16α-methyl-1,4-pregnadiene-11β,17α,21-triol-3,20-dione
  • Flumethason
  • Aniprime
  • Flucort
  • Methagon
  • Anaprime
  • Flucorticin
  • Fluvet
  • RS 2177
  • Cortexillar
  • Vecort
  • 6α-Fluorodexamethazone
  • Aniprome
  • NSC 5402
  • NSC 54702
  • Flutamethasone

Work with Flumetasone

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

6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic acid28416-82-281 % similar 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carbothioic acid80473-92-380 % similar Flumethasone pivalate2002-29-178 % similar Fluticasone90566-53-376 % similar Betamethasone378-44-976 % similar Dexamethasone50-02-276 % similar Halometasone50629-82-872 % similar (6α,11β)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione806-29-171 % similar

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

Same formula

Diflorasone2557-49-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook