chempirical

Fluocinonide

C26H32F2O7CAS 356-12-7494.53 g/mol

Open in Covalent MOL file
OOOOOFOFOH
AcetalAlcoholAlkeneAlkyl halideEsterEtherKetone

Properties

Molecular formula
C26H32F2O7
Molar mass
494.53 g/mol
Exact mass
494.2116 Da
Melting point
309 °C
logP
2.94Crippen estimate
Polar surface area
99.1 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
3
Stereocentres
S, R, S, S, S, S, R, S, Sin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)Health Hazard (GHS08)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, P501

Identifiers

CAS number
356-12-7
SMILES
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C
InChIKey
WJOHZNCJWYWUJD-IUGZLZTKSA-N
InChI
InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1

Weigh it out

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

Names and synonyms

22 names · show all
  • Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,11β,16α)-
  • Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone, 21-acetate
  • 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.
  • (6α,11β,16α)-21-(Acetyloxy)-6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
  • Fluocinolone acetonide acetate
  • Fluocinolide
  • Fluocinolone acetonide 21-acetate
  • Metosyn
  • Lidex E
  • Fluocinolide acetate
  • Flucinar
  • Topsym
  • Lidex
  • Topsymin
  • NSC 101791
  • Topsyne
  • Straderm
  • Dermaplus
  • Topsyn
  • Biscosal
  • Flucetonide
  • Vanos

Work with Fluocinonide

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

Fluocinolone 16,17-acetonide67-73-284 % similar (11β,16α)-21-(Acetyloxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione3870-07-376 % similar Triamcinolone acetonide76-25-565 % similar Epitopic23674-86-462 % similar Flumethasone pivalate2002-29-159 % similar Flumetasone2135-17-357 % similar Diflorasone2557-49-557 % similar Halobetasol propionate66852-54-857 % similar

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

Same formula

Diflorasone diacetate33564-31-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook