chempirical

Fluorometholone

C22H29FO4CAS 426-13-1376.47 g/mol

Open in Covalent MOL file
OHOOFOH
AlcoholAlkeneAlkyl halideKetone

Properties

Molecular formula
C22H29FO4
Molar mass
376.47 g/mol
Exact mass
376.2050 Da
Melting point
297 °C
logP
2.92Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1
Stereocentres
R, S, S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
426-13-1
SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChIKey
FAOZLTXFLGPHNG-KNAQIMQKSA-N
InChI
InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1

Weigh it out

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

Names and synonyms

25 names · show all
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-6-methyl-, (6α,11β)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17-dihydroxy-6α-methyl-
  • (6α,11β)-9-Fluoro-11,17-dihydroxy-6-methylpregna-1,4-diene-3,20-dione
  • U 8614
  • 21-Desoxy-9α-fluoro-6-methylprednisolone
  • 9α-Fluoro-11β,17α-dihydroxy-6α-methylpregna-1,4-diene-3,20-dione
  • 6α-Methyl-9α-fluoro-21-desoxyprednisolone
  • 6α-Methyl-9α-fluoro-11β,17α-dihydroxypregna-1,4-diene-3,20-dione
  • Oxylone
  • Cortilet
  • Delmeson
  • NSC-33001
  • Flumetholone
  • FML
  • Fluormetholon
  • FML SOP
  • Fluaton
  • FML Forte
  • Loticort
  • FML Liquifilm
  • Fluor-op
  • Efflumidex
  • Flumetholon
  • Ursnon
  • Fluaton PVA

Work with Fluorometholone

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

Fluorometholone acetate3801-06-776 % similar (6α,11β)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione806-29-166 % similar (6α,11β)-11,17-Dihydroxy-6-methylpregna-1,4-diene-3,20-dione6870-94-657 % similar Isoflupredone acetate338-98-755 % similar (11β)-9-Fluoro-11,17-dihydroxypregn-4-ene-3,20-dione337-03-151 % similar 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic acid28416-82-251 % similar Flumetasone2135-17-351 % similar Diflorasone2557-49-551 % similar

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

Same formula

Flucortolone152-97-6 Desoximetasone382-67-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook