Identification Common Name Fluticasone propionate Class Small Molecule Description Contaminant Sources FooDB Chemicals
HMDB Contaminants - Urine
STOFF IDENT Compounds
ToxCast & Tox21 Chemicals Contaminant Type Not Available Chemical Structure Synonyms Value Source (1R,2S,8S,11S,13R,14R,15S,17S)-1,8-Difluoro-14-{[(fluoromethyl)sulfanyl]carbonyl}-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl propanoic acid Generator (1R,2S,8S,11S,13R,14R,15S,17S)-1,8-Difluoro-14-{[(fluoromethyl)sulphanyl]carbonyl}-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl propanoate Generator (1R,2S,8S,11S,13R,14R,15S,17S)-1,8-Difluoro-14-{[(fluoromethyl)sulphanyl]carbonyl}-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl propanoic acid Generator
Chemical Formula C25 H31 F3 O5 S Average Molecular Mass 500.570 g/mol Monoisotopic Mass 500.184 g/mol CAS Registry Number 80474-14-2 IUPAC Name (1R,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-5,9b-difluoro-1-{[(fluoromethyl)sulfanyl]carbonyl}-10-hydroxy-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate Traditional Name fluticasone propionate SMILES [H][C@@]1(C)C[C@@]2([H])C3([H])C[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)CC)C(=O)SCF InChI Identifier 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 InChI Key WMWTYOKRWGGJOA-ZHLGSTKJSA-N 
