16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate

[2-[(4S,8S,9S,11S,13S)-6-[4-(dimethylamino)phenyl]-12-fluoro-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 2-benzamido-2-methylpropanoate

Also Known As: Sid 768828|16,17-p-Dimethylaminobenzylidenetriamcinolone-21beta-benzoylaminoisobutyrate|2-{(4as,5s,6as,6bs,9as)-8-[4-(dimethylamino)phenyl]-4b-fluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bh-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl}-2-oxoethyl n-benzoyl-2-methylalaninate|16,17-(4-Dimethylaminobenzylidene)triamcinolone-21beta-benzoylaminoisobutyrate|N-[1-(2-{(4aS,5S,6aS,6bS,9aS)-8-[4-(Dimethylamino)phenyl]-4b-fluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl}-2-oxoethoxy)-2-methyl-1-oxopropan-2-yl]benzenecarboximidic acid|N-[1-(2-{8-[4-(Dimethylamino)phenyl]-4b-fluoro-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl}-2-oxoethoxy)-2-methyl-1-oxopropan-2-yl]benzenecarboximidic acid|Pregna-1,4-diene-3,20-dione, 21-(2-(benzoylamino)-2-methyl-1-oxopropoxy)-16,17-(((4-(dimethylamino)phenyl)methylene)bis(oxy))-9-fluoro-11-hydroxy-, (11beta,16alpha)-

Molecular Formula	C41H47FN2O8
Molecular Weight	714.33167 g/mol
LogP	5.7
Topological Polar Surface Area	131.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	9
Exact Mass	714.33167
Monoisotopic Mass	714.33167
Heavy Atoms	52
Complexity	1530.0

Chemical Identifiers

CAS Number	6334-92-5
SMILES	C[C@]12C[C@@H](C3(C(C1C[C@H]4[C@]2(OC(O4)C5=CC=C(C=C5)N(C)C)C(=O)COC(=O)C(C)(C)NC(=O)C6=CC=CC=C6)CCC7=CC(=O)C=C[C@@]73C)F)O
InChIKey	YFFLWHIVOISIMF-ADFVGWLESA-N