Molecule ID: 56843850

IUPAC Name: 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine;hydrobromide

Description: The molecule is a hydrobromide obtained by combining vortioxetine with one molar equivalent of hydrobromic acid. Used for treatment of major depressive disorder. It has a role as an antidepressant, an anxiolytic drug, a serotonergic antagonist and a serotonergic agonist. It contains a vortioxetine(1+).

SMILES: Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1

SELFIES: [Br].[C][C][=C][C][=C][Branch2][Ring1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C18H22N2S.BrH/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20;/h3-8,13,19H,9-12H2,1-2H3;1H

Molecular Properties:
- Polar Surface Area: 40.6 Ų
- LogP: nan