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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

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

Approval Year

Name Type Language
.BETA.-D-GLUCOPYRANURONIC ACID, 4-(2-((2,4-DIMETHYLPHENYL)THIO)PHENYL)-1-PIPERAZINYL-, METHYL ESTER
Systematic Name English
LU-AA34443 GLUCURONIDE
Common Name English
VORTIOXETINE METABOLITE M4(B)
Common Name English
Code System Code Type Description
FDA UNII
G7QXK756NZ
Created by admin on Sat Dec 16 09:53:41 GMT 2023 , Edited by admin on Sat Dec 16 09:53:41 GMT 2023
PRIMARY
CAS
1818447-51-6
Created by admin on Sat Dec 16 09:53:41 GMT 2023 , Edited by admin on Sat Dec 16 09:53:41 GMT 2023
PRIMARY
PUBCHEM
156596456
Created by admin on Sat Dec 16 09:53:41 GMT 2023 , Edited by admin on Sat Dec 16 09:53:41 GMT 2023
PRIMARY