chempirical

Fluocinolone 16,17-acetonide

C24H30F2O6CAS 67-73-2452.49 g/mol

Open in Covalent MOL file
OFOFOHOHOO
AcetalAlcoholAlkeneAlkyl halideEtherKetone

Properties

Molecular formula
C24H30F2O6
Molar mass
452.49 g/mol
Exact mass
452.2010 Da
Melting point
266 °C
logP
2.37Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2
Stereocentres
R, S, S, S, S, R, S, S, Sin SMILES atom order

Identifiers

CAS number
67-73-2
SMILES
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChIKey
FEBLZLNTKCEFIT-VSXGLTOVSA-N
InChI
InChI=1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1

Weigh it out

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

Names and synonyms

43 names · show all
  • Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,21-dihydroxy-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
  • 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.
  • (6α,11β,16α)-6,9-Difluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
  • 6α,9α-Difluoro-16α,17α-isopropylidenedioxy-δ1-hydrocortisone
  • 6α,9α-Difluoro-11β,16α,17α,21-tetrahydroxypregna-1,4-diene-3,20-dione 16,17-acetonide
  • 6α,9-Difluoro-11β,16α,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16,17 acetal with acetone
  • Fluocinolone acetonide
  • 16α,17α-Isopropylidene-6α,9α-difluoro-1,4-pregnadiene-11β,16α,17α,21-tetrol-3,20-dione
  • Synalar
  • 6α-Fluorotriamcinolone acetonide
  • 6α,9α-Difluoro-16α-hydroxyprednisolone 16,17-acetonide
  • Dermalar
  • Jellin
  • Synamol
  • Synsac
  • Synandone
  • Localyn syntex
  • Fluovitif
  • 6α,9-Difluoro-11β,21-dihydroxy-16α,17α-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
  • Sinalar
  • Radiocin
  • RS 1401AT
  • Synandrone
  • Percutina
  • Prodermin
  • Dermatin
  • Synaflan
  • Dermatin (steroid)
  • Fluocinolone 16α,17α-acetonide
  • Fluzon
  • Synotic
  • Fluovitef
  • NSC 92339
  • Coriphate
  • Fluonid
  • Localyn
  • Synemol
  • Cortiplastol
  • Fluvean
  • Retisert
  • Sinaflan
  • Iluvien

Work with Fluocinolone 16,17-acetonide

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

Fluocinonide356-12-784 % similar Triamcinolone acetonide76-25-577 % similar Flumetasone2135-17-368 % similar Diflorasone2557-49-568 % similar (6α,11β)-6,9-Difluoro-11,17,21-trihydroxypregna-1,4-diene-3,20-dione806-29-167 % similar Diflorasone diacetate33564-31-762 % similar (11β,16α)-21-(Acetyloxy)-9-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione3870-07-362 % similar Flunisolide3385-03-361 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook