chempirical

Fluorometholone acetate

C24H31FO5CAS 3801-06-7418.51 g/mol

Open in Covalent MOL file
OOOOFOH
AlcoholAlkeneAlkyl halideEsterKetone

Properties

Molecular formula
C24H31FO5
Molar mass
418.51 g/mol
Exact mass
418.2156 Da
Melting point
292–303 °C
logP
3.49Crippen estimate
Polar surface area
80.7 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2
Stereocentres
R, S, S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
3801-06-7
SMILES
CC(=O)O[C@]1(C(C)=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
YRFXGQHBPBMFHW-SBTZIJSASA-N
InChI
InChI=1S/C24H31FO5/c1-13-10-19-17-7-9-23(14(2)26,30-15(3)27)22(17,5)12-20(29)24(19,25)21(4)8-6-16(28)11-18(13)21/h6,8,11,13,17,19-20,29H,7,9-10,12H2,1-5H3/t13-,17-,19-,20-,21-,22-,23-,24-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • Pregna-1,4-diene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-6-methyl-, (6α,11β)-
  • Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17-dihydroxy-6α-methyl-, 17-acetate
  • (6α,11β)-17-(Acetyloxy)-9-fluoro-11-hydroxy-6-methylpregna-1,4-diene-3,20-dione
  • U 17323
  • 6α-Methyl-9α-fluoro-17-acetoxy-21-deoxyprednisolone
  • Oxylone acetate
  • 6α-Methyl-9α-fluoro-21-desoxyprednisolone-17-acetate
  • Flarex
  • NSC 47438
  • Eflone

Work with Fluorometholone acetate

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

Fluorometholone426-13-176 % similar Epitopic23674-86-458 % similar Fluorogestone acetate2529-45-554 % similar Diflorasone diacetate33564-31-754 % similar (6α,11β)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione806-29-154 % similar Isoflupredone acetate338-98-752 % similar Fluocinonide356-12-748 % similar Dexamethasone acetate1177-87-347 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook