chempirical

Halometasone

C22H27ClF2O5CAS 50629-82-8444.90 g/mol

Open in Covalent MOL file
FOClFOHHOOHO
AlcoholAlkeneAlkyl halideKetoneVinyl halide

Properties

Molecular formula
C22H27ClF2O5
Molar mass
444.90 g/mol
Exact mass
444.1515 Da
Melting point
221 °C (decomposes)
logP
2.41Crippen 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
50629-82-8
SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
InChIKey
GGXMRPUKBWXVHE-MIHLVHIWSA-N
InChI
InChI=1S/C22H27ClF2O5/c1-10-4-11-12-5-15(24)13-6-16(27)14(23)7-19(13,2)21(12,25)17(28)8-20(11,3)22(10,30)18(29)9-26/h6-7,10-12,15,17,26,28,30H,4-5,8-9H2,1-3H3/t10-,11+,12+,15+,17+,19+,20+,21+,22+/m1/s1

Weigh it out

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

Names and synonyms

8 names
  • Pregna-1,4-diene-3,20-dione, 2-chloro-6,9-difluoro-11,17,21-trihydroxy-16-methyl-, (6α,11β,16α)-
  • (6α,11β,16α)-2-Chloro-6,9-difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • 2-Chloro-6α,9-difluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione
  • 2-Chloroflumethasone
  • Ba 48401
  • Sicorten
  • Halomethasone
  • C 48401Ba

Work with Halometasone

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

Flumetasone2135-17-372 % similar Diflorasone2557-49-572 % similar 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic acid28416-82-257 % similar Betamethasone378-44-957 % similar Dexamethasone50-02-257 % similar Flumethasone pivalate2002-29-157 % similar 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carbothioic acid80473-92-357 % similar Fluticasone90566-53-355 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook