Vortioxetine
1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine
Molecular Identity
Vortioxetine
1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine
PubChem CID: 9966051
Vortioxetine is an N-arylpiperazine in which the aryl group is specified as 2-[(2,4-dimethylphenyl)sulfanyl]phenyl. Used (as its hydrobromide salt) for treatment of major depressive disorder. It has a role as an antidepressant, an anxiolytic drug, a serotonergic agonist and a serotonergic antagonist. It is an aryl sulfide and a N-arylpiperazine. It is a conjugate base of a vortioxetine(1+).
2D Structure
Properties
C18H22N2S
Molecular Formula
298.40
Molecular Weight
g/mol
298.1504
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
40.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
316
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)CIsomeric SMILES
SMILES: CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)CSynonyms(20)
VORTIOXETINE508233-74-7Lu AA21004vortioxetina1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazinevortioxetinum3O2K1S3WQVLuAA21004Lu-AA21004Piperazine, 1-[2-[(2,4-dimethylphenyl)thio]phenyl]-CHEBI:76016DTXSID80965062Piperazine, 1-(2-((2,4-dimethylphenyl)thio)phenyl)-1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine1-(2-(2,4-dimethylphenylsulfanyl)phenyl)piperazine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Vortioxetine
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