1.0 2016-09-30 23:14:54 UTC 2020-03-13 16:38:21 UTC BMDB0005036 BMDB05036 Fluticasone Cutivate Flonase Flovent Cutivic acid Fluticasone propionic acid Flovent diskus 250 Flovent diskus 50 CCI-18781cutivATE Flovent diskus 100 Flovent hfa FLUTICASONE CCI 18781 CCI-18781cutivic acid Asmatil Axotide Brethal Cultivate Flixonase Flixonase nasal spray Flixotide Flixotide disk Flixotide disks Flixotide inhaler Flovent diskus Flovent rotadisk Fluinol Flunase Flusonal Fluspiral Fluticasonpropionat allen Flutide Flutivate HFA, flovent Propionate, fluticasone C25H31F3O5S 500.571 500.184429407 (1R,2S,8S,10S,11S,13R,14R,15S,17S)-1,8-difluoro-14-{[(fluoromethyl)sulfanyl]carbonyl}-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl propanoate (1R,2S,8S,10S,11S,13R,14R,15S,17S)-1,8-difluoro-14-{[(fluoromethyl)sulfanyl]carbonyl}-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl propanoate 80474-14-2 [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@]12C 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 WMWTYOKRWGGJOA-CENSZEJFSA-N belongs to the class of organic compounds known as steroid esters. Steroid esters are compounds containing a steroid moiety which bears a carboxylic acid ester group. Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid esters Steroid esters 11-beta-hydroxysteroids 3-oxo delta-1,4-steroids Alkyl fluorides Androgens and derivatives Carbothioic S-esters Carboxylic acid esters Cyclic alcohols and derivatives Cyclic ketones Delta-1,4-steroids Fluorohydrins Halogenated steroids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organofluorides Secondary alcohols Sulfenyl compounds Thioesters 11-beta-hydroxysteroid 11-hydroxysteroid 3-oxo-delta-1,4-steroid 3-oxosteroid 6-halo-steroid 9-halo-steroid Alcohol Aliphatic homopolycyclic compound Alkyl fluoride Alkyl halide Androgen-skeleton Androstane-skeleton Carbonyl group Carbothioic s-ester Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Cyclic ketone Delta-1,4-steroid Fluorohydrin Halo-steroid Halohydrin Hydrocarbon derivative Hydroxysteroid Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organooxygen compound Organosulfur compound Oxosteroid Secondary alcohol Steroid ester Sulfenyl compound Thiocarboxylic acid ester Thiocarboxylic acid or derivatives Aliphatic homopolycyclic compounds 11beta-hydroxy steroid 3-oxo-Delta(1),Delta(4)-steroid corticosteroid fluorinated steroid propanoate ester steroid ester thioester Solid logp 3.69 ALOGPS logs -4.64 ALOGPS logp 3.72 ChemAxon pka_strongest_acidic 13.56 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (1R,2S,8S,10S,11S,13R,14R,15S,17S)-1,8-difluoro-14-{[(fluoromethyl)sulfanyl]carbonyl}-17-hydroxy-2,13,15-trimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-14-yl propanoate ChemAxon average_mass 500.571 ChemAxon mono_mass 500.184429407 ChemAxon 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@]12C ChemAxon formula C25H31F3O5S ChemAxon 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 ChemAxon inchikey WMWTYOKRWGGJOA-CENSZEJFSA-N ChemAxon polar_surface_area 80.67 ChemAxon refractivity 121.65 ChemAxon polarizability 49.29 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 25139 Specdb::CMs 40421 Specdb::MsMs 255327 Specdb::MsMs 255328 Specdb::MsMs 255329 Specdb::MsMs 275268 Specdb::MsMs 275269 Specdb::MsMs 275270 Specdb::MsMs 450993 Specdb::MsMs 2236588 Specdb::MsMs 2236805 Specdb::MsMs 2238718 Specdb::MsMs 2238859 Specdb::MsMs 2240844 Specdb::MsMs 2240864 Specdb::MsMs 2242877 Specdb::MsMs 2242957 Specdb::MsMs 3049577 Specdb::MsMs 3049578 Specdb::MsMs 3049579 Specdb::MsMs 3117551 Specdb::MsMs 3117552 Specdb::MsMs 3117553 392059 DB00588 FDB023603 31441 444036 Fluticasone_Propionate Barkalow, Jufang; Chamberlin, Steven A.; Cooper, Arthur J.; Hossain, Azad; Hufnagel, John J.; Langrid Method for the preparation of fluticasone and related 17b-carbothioic esters using a novel carbothioic acid synthesis and novel purification methods.