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vortioxetine

Properties

Image

Occurences in reactions

MNX_ID

MNXM162143

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₈H₂₂N₂S

charge

mass

298.15037

reference

InChIKey

YQNWZWMKLDQSAC-UHFFFAOYSA-N

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

SMILES

Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76016 chebi:76016	vortioxetine 1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine Lu AA21004 vortioxetina vortioxetinum
kegg.drug:D10184 keggD:D10184	Vortioxetine (USAN) Brintellix (TN)
CHEBI:76017 chebi:76017	vortioxetine(1+) 4-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazin-1-ium vortioxetine cation
keggD:M_D10184	secondary/obsolete/fantasy identifier