Duo-tran

2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;[8-methyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;bromide

Also Known As: Duo-tran|2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol,[8-methyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate,bromide|2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol; [8-methyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate; bromide|8-[2-([1,1'-Biphenyl]-4-yl)-2-oxoethyl]-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide--2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol (1/1/1)|8-[2-(biphenyl-4-yl)-2-oxoethyl]-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane bromide- 2-{4-[3-(2-chloro-10h-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol(1:1:1)|8-Azoniabicyclo(3.2.1)octane, 8-(2-(1,1'-biphenyl)-4-yl-2-oxoethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-, bromide, (3(S)-endo)-, mixt. with 4-(3-(2-chloro-10H-phenothiazin-10-yl)propyl)-1-piperazineethanol

Molecular Formula	C52H60BrClN4O5S
Molecular Weight	966.3156 g/mol
LogP	5.9423
Topological Polar Surface Area	119.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	10
Rotatable Bonds	15
Exact Mass	966.3156
Monoisotopic Mass	966.3156
Heavy Atoms	64
Complexity	1200.0

Chemical Identifiers

CAS Number	76404-06-3
SMILES	C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5.C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.[Br-]
InChIKey	HJVNWGRHVLCOTL-UHFFFAOYSA-M