Molecule ID: 11957553

IUPAC Name: 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride

Description: The molecule is a hydrochloride salt that is obtained by reaction of 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazine with two equivalents of hydrogen chloride. Potent and selective inhibitor of dopamine uptake (KD = 5.5 nM in rat striatal membranes). It has a role as a dopamine uptake inhibitor. It contains a 1-[2-(benzhydryloxy)ethyl]-4-(3-phenylpropyl)piperazinediium(2+).

SMILES: Cl.Cl.c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1

SELFIES: [Cl].[Cl].[C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][C][N][C][C][N][Branch2][Ring1][#Branch1][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#C]

InChI: InChI=1S/C28H34N2O.2ClH/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27;;/h1-9,11-12,14-17,28H,10,13,18-24H2;2*1H

Molecular Properties:
- Polar Surface Area: 15.7 Ų
- LogP: nan