Clocortolone Caproate

[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexanoate

Also Known As: Clocortolone Caproate|CLOCORTOLONE HEXANOATE|EINECS 225-513-9|KST-1A5196|CLOCORTOLONE HEXANOATE [WHO-DD]|[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexanoate|9-Chloro-6alpha-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-hexanoate|(6|A,11|A,16|A)-9-chloro-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl hexanoate|2-[(1S,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-9b-chloro-5-fluoro-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]-2-oxoethyl hexanoate|PREGNA-1,4-DIENE-3,20-DIONE, 9-CHLORO-6-FLUORO-11-HYDROXY-16-METHYL-21-((1-OXOHEXYL)OXY)-, (6.ALPHA.,11.BETA.,16.ALPHA.)-|Pregna-1,4-diene-3,20-dione, 9-chloro-6-fluoro-11-hydroxy-16-methyl-21-((1-oxohexyl)oxy)-, (6alpha,11beta,16alpha)-|9-Chloro-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl hexanoate|(6alpha,11beta,16alpha)-9-Chloro-6-fluoro-11-hydroxy-16-methyl-21-[(1-oxohexyl)oxy]-pregna-1,4-diene-3,20-dione|[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-chloro-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] hexanoate|2-((1S,2R,3aS,3bS,5S,9aS,9bR,10S,11aS)-9b-chloro-5-fluoro-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)-2-oxoethyl hexanoate|2-((6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-Chloro-6-fluoro-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)-2-oxoethyl hexanoate|9-chloro-6|A-fluoro-11|A,21-dihydroxy-16|A-methylpregna-1,4-diene-3,20-dione 21-hexanoate|9-Chloro-6alpha-fluoro-11beta-hydroxy-16alpha-methyl-21-[(1-oxohexyl)oxy]pregna-1,4-diene-3,20-dione|9-Chloro-6alpha-fluoro-11beta-hydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl hexanoate|pregna-1,4-diene-3,20-dione,9-chloro-6-fluoro-11-hydroxy-16-methyl-21-((1-oxohexyl)oxy)-,(6alpha,11beta,16alpha)-

Molecular Formula	C28H38ClFO5
Molecular Weight	508.23917 g/mol
LogP	5.13
Topological Polar Surface Area	80.67 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	508.23917
Heavy Atoms	35
Complexity	961.0

Chemical Identifiers

CAS Number	4891-71-8
SMILES	CCCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)Cl)O)C)C