11-Progesteryl-2-succinoyltyramine-4-(10-methyl)acridinium-9-carboxylate

[4-[2-[[4-[[(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-4-oxobutanoyl]amino]ethyl]phenyl] acridine-9-carboxylate

Also Known As: 11-Pstmac|11-Progesteryl-2-succinoyltyramine-4-(10-methyl)acridinium-9-carboxylate|[4-[2-[[4-[[(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-4-oxobutanoyl]amino]ethyl]phenyl] acridine-9-carboxylate|4-{2-[(4-{[(11|A)-3,20-dioxopregn-4-en-11-yl]oxy}-4-oxobutanoyl)amino]ethyl}phenyl acridine-9-carboxylate|N-(2-{4-[(Acridine-9-carbonyl)oxy]phenyl}ethyl)-4-[(3,20-dioxopregn-4-en-11-yl)oxy]-4-oxobutanimidic acid|N-(2-{4-[(Acridine-9-carbonyl)oxy]phenyl}ethyl)-4-[(3,20-dioxopregn-4-en-11alpha-yl)oxy]-4-oxobutanimidic acid|Pregn-4-ene-3,20-dione, 11-(4-((2-(4-((9-acridinylcarbonyl)oxy)phenyl)ethyl)amino)-1,4-dioxobutoxy)-, (11alpha)-

Molecular Formula	C47H50N2O7
Molecular Weight	754.3618 g/mol
LogP	7.1
Topological Polar Surface Area	129.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	12
Exact Mass	754.3618
Monoisotopic Mass	754.3618
Heavy Atoms	56
Complexity	1530.0

Chemical Identifiers

CAS Number	6312-01-2
SMILES	CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)OC(=O)CCC(=O)NCCC5=CC=C(C=C5)OC(=O)C6=C7C=CC=CC7=NC8=CC=CC=C86)C
InChIKey	PRJJJIHENBJWKZ-NEMBYOKESA-N