VORTIOXETINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H22N2S
Molecular Weight	298.446
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VORTIOXETINE

Structure Search

SMILES

CC1=CC(C)=C(SC2=CC=CC=C2N3CCNCC3)C=C1

InChI

InChIKey=YQNWZWMKLDQSAC-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Molecular Formula	C18H22N2S
Molecular Weight	298.446
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:41:59 UTC 2023` Edited by `admin` on `Sat Dec 16 17:41:59 UTC 2023`
Record UNII	3O2K1S3WQV
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VORTIOXETINE

Official Name

English

LU-AA21004

Code

English

LU AA21004

Code

English

VORTIOXETINE [USAN]

Common Name

English

PIPERAZINE, 1-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL)-

Systematic Name

English

VORTIOXETINE [MI]

Common Name

English

1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine

Systematic Name

English

Vortioxetine [WHO-DD]

Common Name

English

LUAA21004

Code

English

vortioxetine [INN]

Common Name

English

VORTIOXETINE [VANDF]

Common Name

English

Classification Tree Code System Code

WHO-ATC

N06AX26

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

WHO-VATC

QN06AX26

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

NCI_THESAURUS

C265

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

Code System Code Type Description

SMS_ID

100000139835

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

EPA CompTox

DTXSID80965062

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

DAILYMED

3O2K1S3WQV

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

DRUG CENTRAL

4806

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

FDA UNII

3O2K1S3WQV

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

RXCUI

1455099

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

RxNorm

HSDB

8250

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

EVMPD

SUB88928

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

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LACTMED

Vortioxetine

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

NCI_THESAURUS

C152917

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

INN

9279

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

MERCK INDEX

m11708

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

CAS

508233-74-7

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

ChEMBL

CHEMBL2104993

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

IUPHAR

7351

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

DRUG BANK

DB09068

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

WIKIPEDIA

VORTIOXETINE

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

CHEBI

76016

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

PUBCHEM

9966051

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

USAN

WW-43

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

MESH

C557874

Created by admin on Sat Dec 16 17:42:01 UTC 2023 , Edited by admin on Sat Dec 16 17:42:01 UTC 2023

PRIMARY

Related Record Type Details


					TKS641KOAY

VORTIOXETINE HYDROBROMIDE

SALT/SOLVATE -> PARENT


					CJZ26L1EGI

SODIUM-DEPENDENT SEROTONIN TRANSPORTER

TARGET -> INHIBITOR


					4A4MK4KIB5

BETA-1 ADRENERGIC RECEPTOR

TARGET -> AGONIST

Interaction Type:

SHORT-ACTING

Amount:


					1AG1A6ENX6

5-HYDROXYTRYPTAMINE RECEPTOR 7

TARGET -> INHIBITOR


					EA9HO2Z7V5

5-HYDROXYTRYPTAMINE RECEPTOR 3A

TARGET -> INHIBITOR

Amount:


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					UKK18ES9TF

5-HYDROXYTRYPTAMINE RECEPTOR 1A

TARGET -> AGONIST


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:

Related Record Type Details


					G7QXK756NZ

.BETA.-D-GLUCOPYRANURONIC ACID, 4-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL)-1-PIPERAZINYL-, METHYL ESTER

METABOLITE INACTIVE -> PARENT

Comments:

UGT ENZYME NOT GIVEN

Interaction Type:

MAJOR

Qualification:

PLASMA

Amount:


					A9HR3CXA7K

METABOLITE INACTIVE -> PARENT

Comments:

AT 4 HOURS; ALCOHOL DEHYDROGENASE & ALDEHYDE DEHYDROGENASE ALSO INVOLVED IN METABOLISM

Interaction Type:

MAJOR

Qualification:

PLASMA

Amount:


					C459W0B337

METABOLITE -> PARENT

Comments:

Major Enzyme for this transformation

Interaction Type:

MINOR

Qualification:

PLASMA


					C459W0B337

METABOLITE -> PARENT

Comments:

Minor Enzyme for this transformation

Interaction Type:

MINOR

Qualification:

PLASMA


					A9HR3CXA7K

METABOLITE INACTIVE -> PARENT

Interaction Type:

MINOR

Qualification:

PLASMA


					P5Y7PP7U7L

VORTIOXETINE SULFOXIDE

METABOLITE -> PARENT

Interaction Type:

MINOR


					A9HR3CXA7K

METABOLITE INACTIVE -> PARENT

Comments:

OTHER METABOLITES INCLUDED

Interaction Type:

MAJOR

Qualification:

URINE

Amount:


					A9HR3CXA7K

METABOLITE INACTIVE -> PARENT

Interaction Type:

MAJOR

Qualification:

FECAL

Related Record Type Details


					3O2K1S3WQV

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Volume of Distribution	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC