chempirical

Fluticasone propionate

C25H31F3O5SCAS 80474-14-2500.57 g/mol

Open in Covalent MOL file
OOOSFFOFOH
AlcoholAlkeneAlkyl halideEsterKetoneSulfide

Properties

Molecular formula
C25H31F3O5S
Molar mass
500.57 g/mol
Exact mass
500.1844 Da
Melting point
272–273 °C (decomposes)
logP
4.43Crippen estimate
Polar surface area
80.7 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4
Stereocentres
R, R, S, S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
80474-14-2
SMILES
CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChIKey
WMWTYOKRWGGJOA-CENSZEJFSA-N
InChI
InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18+,19+,22+,23+,24+,25+/m1/s1

Weigh it out

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

Names and synonyms

27 names · show all
  • Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-, S-(fluoromethyl) ester, (6α,11β,16α,17α)-
  • Fluticasone 17-propionate
  • Flixotide
  • Flutide
  • Flutide N
  • Flixonase
  • Flovent diskus
  • Flovent
  • Cutivate cream
  • Flonase
  • Flunase
  • Flutivate
  • Flixotide disks
  • Flixotide disk
  • Flixotide inhaler
  • Zoflut
  • Atemur mite
  • Cutivate
  • Flixonase nasal spray
  • Flonase aq
  • CCI 18781
  • Cyclesonide
  • Fluticone
  • Axotide
  • Flovent rotadisk
  • Rotadisk
  • F 9428

Work with Fluticasone propionate

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

Halobetasol propionate66852-54-878 % similar Fluticasone90566-53-373 % similar Fluticasone furoate397864-44-772 % similar Diflorasone diacetate33564-31-763 % similar Clobetasol propionate25122-46-760 % similar 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic acid28416-82-260 % similar Flumetasone2135-17-359 % similar Diflorasone2557-49-559 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook