AC1MI6EZ

[8-[(4-butylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide

Also Known As: 8-(p-Butylbenzyl)atropinium bromide|Atropinium, 8-(p-butylbenzyl)-, bromide|N-682|1-alpha-H,5-alpha-H-Tropanium, 8-(p-butylbenzyl)-3-alpha-hydroxy-, bromide, (+-)-tropate|[8-[(4-butylphenyl)methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide|8-[(4-Butylphenyl)methyl]-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide

Molecular Formula	C28H38BrNO3
Molecular Weight	515.2035 g/mol
LogP	1.9925
Topological Polar Surface Area	46.53 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	9
Exact Mass	515.2035
Monoisotopic Mass	515.2035
Heavy Atoms	33
Complexity	871.7753

Chemical Identifiers

CAS Number	101636-41-3
SMILES	CCCCC1=CC=C(C=C1)C[N+]2(C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)C.[Br-]