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vortioxetine

PropertiesImage
MNX_IDMNXM162143 Image of MNXM162143
referencechebi:76016
formulaC18H22N2S
global charge0
mol weight298.455
InChIKeyYQNWZWMKLDQSAC-UHFFFAOYSA-N
InChIInChI=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
SMILESCC1=CC=C(SC2=C(N3CCNCC3)C=CC=C2)C(C)=C1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM162143
SMILES (mnx)[CH3:1][C:14]1=[CH:13][C:15]([CH3:2])=[C:17]([S:21][C:18]2=[CH:6][CH:4]=[CH:3][CH:5]=[C:16]2[N:20]2[CH2:11][CH2:9][NH:19][CH2:10][CH2:12]2)[CH:8]=[CH:7]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76016
chebi:76016
YQNWZWMKLDQSAC-UHFFFAOYSA-N 		vortioxetine
1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine
Lu AA21004
vortioxetina
vortioxetinum
hmdb:HMDB0259875
YQNWZWMKLDQSAC-UHFFFAOYSA-N 		VORTIOXETINE
1-(2-(2,4-Dimethylphenylsulfanyl)phenyl)piperazine
1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine
1-{2-[(2,4-dimethylphenyl)sulphanyl]phenyl}piperazine
Brintellix
Vortioxetine hydrobromide
vortioxetine

kegg.drug:D10184
keggD:D10184
YQNWZWMKLDQSAC-UHFFFAOYSA-N 		Vortioxetine (USAN)
Brintellix (TN)

CHEBI:76017
chebi:76017
YQNWZWMKLDQSAC-UHFFFAOYSA-O 		vortioxetine(1+)
4-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazin-1-ium
vortioxetine cation

keggD:M_D10184 		secondary/obsolete/fantasy identifier