Butixocort 21-propionate

[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-propanoylsulfanylacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate

Also Known As: Butixocort 21-propionate|butixocort propionate|Butixocort (propionate)|JO-1222|JO 1222|JO1222;JO-1222;JO 1222|Pregn-4-ene-3,20-dione, 11-hydroxy-17-(1-oxobutoxy)-21-((1-oxopropyl)thio)-, (11beta)-|[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-(2-propanoylsulfanylacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate|11-Hydroxy-3,20-dioxo-21-(propanoylsulfanyl)pregn-4-en-17-yl butanoate|3-Cyclopentene-1-acetic acid, 2-(acetyloxy)-5-oxo-, methyl ester, trans-|11beta-Hydroxy-3,20-dioxo-21-(propanoylsulfanyl)pregn-4-en-17-yl butanoate|17alpha-(Butyryloxy)-11beta-hydroxy-21-(propionylthio)pregn-4-ene-3,20-dione|pregn-4-ene-3,20-dione, 11-hydroxy-17-(1-oxobutoxy)-21-((1-oxopropyl)thio)-,(11|A)-|(11.BETA.)-11-HYDROXY-17-(1-OXOBUTOXY)-21-((1-OXOPROPYL)THIO)PREGN-4-ENE-3,20-DIONE|(1R,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-9a,11a-dimethyl-7-oxo-1-[2-(propanoylsulfanyl)acetyl]-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl butanoate|PREGN-4-ENE-3,20-DIONE, 11-HYDROXY-17-(1-OXOBUTOXY)-21-((1-OXOPROPYL)THIO)-, (11.BETA.)-

Molecular Formula	C28H40O6S
Molecular Weight	504.25455 g/mol
LogP	4.8
Topological Polar Surface Area	123.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	504.25455
Monoisotopic Mass	504.25455
Heavy Atoms	35
Complexity	942.0

Chemical Identifiers

CAS Number	98451-27-5
SMILES	CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CSC(=O)CC
InChIKey	CDKNUFNIFGPFSF-AYVLZSQQSA-N