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CHEBI:31441 - fluticasone propionate

ChEBI IDCHEBI:31441
ChEBI Namefluticasone propionate
Stars
DefinitionA trifluorinated corticosteroid that consists of 6α,9-difluoro-11β,17α-dihydroxy-17β-{[(fluoromethyl)sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearing a propionyl substituent at position 17; has anti-inflammatory, anti-asthmatic and anti-allergic activity.
Secondary ChEBI IDCHEBI:63600
Last Modified15 August 2019
DownloadsMolfile

FormulaC25H31F3O5S
Net Charge0
Average Mass500.579
Monoisotopic Mass500.18443
SMILES[H][C@@]12C[C@@H](C)[C@](OC(=O)CC)(C(=O)SCF)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@@]21C
InChIInChI=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
InChIKeyWMWTYOKRWGGJOA-CENSZEJFSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
6α,9-difluoro-17β-{[(fluoromethyl)sulfanyl]carbonyl}-11β-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17α-yl propanoate
Synonym  Source
Fluticasone propionateKEGG COMPOUND
Brand Name  Source
CutivateDrugBank
Manual XrefsDatabases
D01708KEGG DRUG
DB00588DrugBank
NL8100707Patent
US4335121Patent
Fluticasone_PropionateWikipedia
1225DrugCentral
Registry NumbersSources
Reaxys:6944704Reaxys
CAS:80474-14-2ChemIDplus