Zoticasone

S-[(3R)-2-oxooxolan-3-yl] (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate

Also Known As: Zoticasone|Zoticasona|Zoticasonum|Zoticasone [INN]|Zoticasone [WHO-DD]|Zoticasone [INN:BAN]|ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 6,9-DIFLUORO-11,17-DIHYDROXY-16-METHYL-3-OXO-, S-((3R)-TETRAHYDRO-2-OXO-3-FURANYL) ESTER, (6.ALPHA.,11.BETA.,16.ALPHA.,17.ALPHA.)-|S-((3R)-2-OXOTETRAHYDROFURAN-3-YL) 6.ALPHA.,9-DIFLUORO-12.BETA.,17-DIHYDROXY-16A-METHYL-3-OXOANDROSTA-1,4-DIENE-17.BETA.-CARBOTHIOATE|6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy)-androsta-1,4-diene-17-carbothioic acid, S-((3S)-tetrahydro-2-oxo-3-furanyl) ester, (6alpha,11beta,16alpha,17alpha)-|ANDROSTA-1,4-DIENE-17-CARBOTHIOIC ACID, 6,9-DIFLUORO-11,17-DIHYDROXY-16-METHYL-3-OXO-, S-((3R)-TETRAHYDRO-2-OXO-3-FURANYL) ESTER, (6ALPHA,11BETA,16ALPHA,17ALPHA)-|S-((3R)-2-oxooxolan-3-yl) (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta(a)phenanthrene-17-carbothioate|S-((3R)-2-OXOTETRAHYDROFURAN-3-YL) 6ALPHA,9-DIFLUORO-12BETA,17-DIHYDROXY-16A-METHYL-3-OXOANDROSTA-1,4-DIENE-17BETA-CARBOTHIOATE|S-[(3R)-2-oxooxolan-3-yl] (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioate

Molecular Formula	C25H30F2O6S
Molecular Weight	496.17313 g/mol
LogP	2.8576
Topological Polar Surface Area	100.9 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	2
Exact Mass	496.17313
Monoisotopic Mass	496.17313
Heavy Atoms	34
Complexity	1028.8761

Chemical Identifiers

CAS Number	192056-77-2
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)S[C@@H]5CCOC5=O)O)C)O)F)C)F