Fluticasone acetate structure

Fluticasone acetate

[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate

Also Known As: Fluticasone acetate|17-yl ester|Fluticasone Impurity C|Fluticasone Propionate EP Impurity C|Fluticasone Related Compound C|Fluticasone Furoate EP Impurity B|FLUTICASONE PROPIONATE RELATED COMPOUND C|FLUTICASONE PROPIONATE IMPURITY C [EP IMPURITY]|FLUTICASONE PROPIONATE IMPURITY C (EP IMPURITY)|FLUTICASONE PROPIONATE RELATED COMPOUND C [USP IMPURITY]|B1370-471778|[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate|FLUTICASONE PROPIONATE RELATED COMPOUND C (USP IMPURITY)|Fluticasone Propionate EP Impurity C; Fluticasone Furoate Impurity B|6.ALPHA.,9-DIFLUORO-17-(((FLUOROMETHYL)SULFANYL)CARBONYL)-11.BETA.-HYDROXY-16.ALPHA.-METHYL-3-OXOANDROSTA-1,4-DIEN-17.ALPHA.-YL ACETATE|ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 17-(ACETYLOXY)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-, S-(FLUOROMETHYL) ESTER, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-|S-FLUOROMETHYL 17.ALPHA.-ACETYLOXY-6.ALPHA.,9.ALPHA.-DIFLUORO-11.BETA.-HYDROXY-16.ALPHA.-METHYL-3-OXO-ANDROSTA-1,4-DIENE-17.BETA.-CARBOTHIOATE|(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 acetate|(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(((fluoromethyl)thio)carbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl acetate|[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]acetate|11beta-Hydroxy-6alpha,9-difluoro-16alpha-methyl-3-oxo-17-acetoxyandrosta-1,4-diene-17beta-thiocarboxylic acid S-(fluoromethyl) ester|6ALPHA,9-DIFLUORO-17-(((FLUOROMETHYL)SULFANYL)CARBONYL)-11BETA-HYDROXY-16ALPHA-METHYL-3-OXOANDROSTA-1,4-DIEN-17ALPHA-YL ACETATE|6alpha,9-Difluoro-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-11beta-hydroxy-16alpha-methyl-3-oxoandrosta-1,4-dien-17alpha-yl acetate|Acetic acid (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-fluoromethylsulfanylcarbonyl-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-|ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 17-(ACETYLOXY)-6,9-DIFLUORO-11-HYDROXY-16-METHYL-3-OXO-, S-(FLUOROMETHYL) ESTER, (6ALPHA,11BETA,16ALPHA,17ALPHA)-|Androsta-1,4-diene-17-carbothioic acid, 17-(acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-, S-(fluoromethyl) ester, (6alpha,11beta,16alpha,17alpha)-; 6alpha,9-difluoro-17-[[(fluoromethyl)sulfanyl]carbonyl]-11beta-hydroxy-16alpha-methyl-3-oxoandrosta-1,4-dien-17alpha-yl acetate; Fluticasone acetate; Fluticasone Propionate Imp. C (EP); CAF (GW694301X); GW 872664X; TAF (GW675713X); 6-des-fluoro 698 (GW836850X); GSK465433A and GSK1322631A; 5-chloro-furoyl 698 (GSK180878A); TA-TAF dimer (GW871519X); unidentified impurity with RRT 1.23; disulphide dipropionate dithioketone (GR 247095X); fluticasone acetate (CCI 22341); dithio (GR 269949X)|S-FLUOROMETHYL 17ALPHA-ACETYLOXY-6ALPHA,9ALPHA-DIFLUORO-11BETA-HYDROXY-16ALPHA-METHYL-3-OXO-ANDROSTA-1,4-DIENE-17BETA-CARBOTHIOATE

CAS: 80474-24-4
Molecular Formula C24H29F3O5S
Molecular Weight 486.1688 g/mol
LogP 4.0399
Topological Polar Surface Area 80.67 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 3
Exact Mass 486.1688
Monoisotopic Mass 486.1688
Heavy Atoms 33
Complexity 967.74634

Chemical Identifiers

CAS Number 80474-24-4
SMILES C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)SCF)OC(=O)C)C)O)F)C)F

Product Overview

Fluticasone acetate (CAS 80474-24-4), with molecular formula C24H29F3O5S and molecular weight 486.1688 g/mol. IUPAC: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate.

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