AC1MI3I6

[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanoate

Also Known As: [(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-butanoyloxy-10,13-dimethyl-2,16-bis(1-methylpiperidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanoate|Piperidinium, 1,1'-[(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(1-oxobutoxy)androstane-2,16-diyl]bis[1-methyl-|Piperidinium, 1,1a(2)-[(2beta,3alpha,5alpha,16beta,17beta)-3,17-bis(1-oxobutoxy)androstane-2,16-diyl]bis[1-methyl-

Molecular Formula	C39H68N2O4+2
Molecular Weight	628.5179 g/mol
LogP	7.6709
Topological Polar Surface Area	52.6 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	628.5179
Monoisotopic Mass	628.5179
Heavy Atoms	45
Complexity	1065.2593

Chemical Identifiers

CAS Number	764597-85-5
SMILES	CCCC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)CCC)[N+]6(CCCCC6)C)C