vortioxetine   Click here for help

GtoPdb Ligand ID: 7351

Synonyms: Brintellix® | Lu AA21004 | Trintellix®
Approved drug Immunopharmacology Ligand
vortioxetine is an approved drug (FDA and EMA (2013))
Compound class: Synthetic organic
Comment: Vortioxetine is a novel atypical antidepressant.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 40.57
Molecular weight 298.15
XLogP 4.61
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1
Isomeric SMILES Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1
InChI InChI=1S/C18H22N2S/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
InChI Key YQNWZWMKLDQSAC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2013))
IUPAC Name Click here for help
1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine
International Nonproprietary Names Click here for help
INN number INN
9279 vortioxetine
Synonyms Click here for help
Brintellix® | Lu AA21004 | Trintellix®
Database Links Click here for help
CAS Registry No. 508233-74-7 (source: Scifinder)
ChEMBL Ligand CHEMBL2104993
DrugCentral Ligand 4806
GtoPdb PubChem SID 178103923
PubChem CID 9966051
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Wikipedia Vortioxetine