chempirical

Fluticasone furoate

C27H29F3O6SCAS 397864-44-7538.58 g/mol

Open in Covalent MOL file
FOFOHOOOOSF
AlcoholAlkeneAlkyl halideEsterKetoneSulfide

Properties

Molecular formula
C27H29F3O6S
Molar mass
538.58 g/mol
Exact mass
538.1637 Da
logP
4.93Crippen estimate
Polar surface area
93.8 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
4
Stereocentres
R, S, S, S, S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
397864-44-7
SMILES
C[C@@H]1C[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@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF
InChIKey
XTULMSXFIHGYFS-VLSRWLAYSA-N
InChI
InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • Androsta-1,4-diene-17-carbothioic acid, 6,9-difluoro-17-[(2-furanylcarbonyl)oxy]-11-hydroxy-16-methyl-3-oxo-, S-(fluoromethyl) ester, (6α,11β,16α,17α)-
  • 6α,9α-Difluoro-17α-[(2-furanylcarbonyl)oxy]-11β-hydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carbothioic acid S-fluoromethyl ester
  • GW 685698X
  • Allermist
  • GSK 685 698
  • Avamys
  • Furamist
  • Veramyst
  • Alisade

Work with Fluticasone furoate

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

Fluticasone propionate80474-14-272 % similar Fluticasone90566-53-365 % similar Diflorasone diacetate33564-31-757 % similar Halobetasol propionate66852-54-856 % similar Mometasone furoate83919-23-755 % similar 6α,9α-Difluoro-11β,17α-dihydroxy-16α-methyl-3-oxoandrosta-1,4-diene-17β-carboxylic acid28416-82-254 % similar Flumetasone2135-17-353 % similar Diflorasone2557-49-553 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook