chempirical

Desoximetasone

C22H29FO4CAS 382-67-2376.47 g/mol

Open in Covalent MOL file
OFOHOHO
AlcoholAlkeneAlkyl halideKetone

Properties

Molecular formula
C22H29FO4
Molar mass
376.47 g/mol
Exact mass
376.2050 Da
Melting point
217 °C
logP
2.78Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2
Stereocentres
R, S, S, S, R, S, S, Sin SMILES atom order

Identifiers

CAS number
382-67-2
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
InChIKey
VWVSBHGCDBMOOT-IIEHVVJPSA-N
InChI
InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1

Weigh it out

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

Names and synonyms

21 names · show all
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-, (11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,21-dihydroxy-16α-methyl-
  • (11β,16α)-9-Fluoro-11,21-dihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • 9α-Fluoro-11β,21-dihydroxy-16α-methylpregna-1,4-diene-3,20-dione
  • 17-Desoximethasone
  • Deoxymethasone
  • 9-Fluoro-16α-methyl-δ1-corticosterone
  • 17-Deoxymethasone
  • A 41304
  • R 2113
  • Topicorte
  • Topisolon
  • Desoxymetasone
  • Desoxymethasone
  • Desoximethasone
  • 17-Deoxydexamethasone
  • A 41-304
  • Esperson
  • Stidex
  • HOE 304
  • Topicort

Work with Desoximetasone

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

Diflucortolone2607-06-974 % similar Triamcinolone124-94-760 % similar Betamethasone378-44-959 % similar Dexamethasone50-02-259 % similar Diflucortolone valerate59198-70-857 % similar Triamcinolone acetonide76-25-554 % similar Clobetasol25122-41-253 % similar Betamethasone valerate2152-44-551 % similar

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

Same formula

Flucortolone152-97-6 Fluorometholone426-13-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook