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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H28N2O8S
Molecular Weight	504.553
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

CC1=C(SC2=CC=CC=C2N3CCNCC3)C=CC(=C1)C(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O

InChI

InChIKey=HDQDQSQNKHJEDJ-DCIKREJASA-N

InChI=1S/C24H28N2O8S/c1-13-12-14(23(32)34-24-20(29)18(27)19(28)21(33-24)22(30)31)6-7-16(13)35-17-5-3-2-4-15(17)26-10-8-25-9-11-26/h2-7,12,18-21,24-25,27-29H,8-11H2,1H3,(H,30,31)/t18-,19-,20+,21-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H28N2O8S
Molecular Weight	504.553
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:53:41 GMT 2025` Edited by `admin` on `Mon Mar 31 22:53:41 GMT 2025`
Record UNII	G7QXK756NZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LU-AA34443 GLUCURONIDE

Preferred Name

English

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

Systematic Name

English

VORTIOXETINE METABOLITE M4(B)

Common Name

English

Code System Code Type Description

FDA UNII

G7QXK756NZ

Created by admin on Mon Mar 31 22:53:41 GMT 2025 , Edited by admin on Mon Mar 31 22:53:41 GMT 2025

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CAS

1818447-51-6

Created by admin on Mon Mar 31 22:53:41 GMT 2025 , Edited by admin on Mon Mar 31 22:53:41 GMT 2025

PRIMARY

PUBCHEM

156596456

Created by admin on Mon Mar 31 22:53:41 GMT 2025 , Edited by admin on Mon Mar 31 22:53:41 GMT 2025

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