VORTIOXETINE SULFOXIDE

Details

Stereochemistry	UNKNOWN
Molecular Formula	C18H22N2OS
Molecular Weight	314.445
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC(C)=C(C=C1)[S+]([O-])C2=CC=CC=C2N3CCNCC3

InChI

InChIKey=QMCUMUZLZIXOII-UHFFFAOYSA-N

InChI=1S/C18H22N2OS/c1-14-7-8-17(15(2)13-14)22(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	C18H22N2OS
Molecular Weight	314.445
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 14:55:10 UTC 2023` Edited by `admin` on `Sat Dec 16 14:55:10 UTC 2023`
Record UNII	P5Y7PP7U7L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VORTIOXETINE SULFOXIDE

Common Name

English

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

Systematic Name

English

VORTIOXETINE METABOLITE 4A

Common Name

English

VORTIOXETINE IMPURITY 19

Common Name

English

Code System Code Type Description

CAS

1429908-35-9

Created by admin on Sat Dec 16 14:55:10 UTC 2023 , Edited by admin on Sat Dec 16 14:55:10 UTC 2023

PRIMARY

EPA CompTox

DTXSID101216726

Created by admin on Sat Dec 16 14:55:10 UTC 2023 , Edited by admin on Sat Dec 16 14:55:10 UTC 2023

PRIMARY

FDA UNII

P5Y7PP7U7L

Created by admin on Sat Dec 16 14:55:10 UTC 2023 , Edited by admin on Sat Dec 16 14:55:10 UTC 2023

PRIMARY

PUBCHEM

86343444

Created by admin on Sat Dec 16 14:55:10 UTC 2023 , Edited by admin on Sat Dec 16 14:55:10 UTC 2023

PRIMARY

Related Record Type Details


					3O2K1S3WQV

VORTIOXETINE

PARENT -> METABOLITE

Interaction Type:

MINOR

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC

Volume of Distribution	PHARMACOKINETIC