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Product Overview

Product Code

TRC-T436810

CAS Number

115220-11-6

Product Format

Neat

Molecular Formula

C19 H20 Cl N2 O4 S . Na

Molecular Weight

430.88

API Family

Tianeptine

Product Categories

TRC, Antidepressants, Antidepressants, Antidepressants, Neurology Research Chemicals and Analytical Standards, Impurity Reference Materials

Product Type

Impurity

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

5-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-yl)amino]pentanoate sodium salt

CAS Number

115220-11-6

Molecular Formula

C19 H20 Cl N2 O4 S . Na

Molecular Weight

430.88

Accurate Mass

430.073

SMILES

[Na+].CN1c2ccccc2C(NCCCCC(=O)[O-])c3ccc(Cl)cc3S1(=O)=O

InChI

InChI=1S/C19H21ClN2O4S.Na/c1-22-16-7-3-2-6-14(16)19(21-11-5-4-8-18(23)24)15-10-9-13(20)12-17(15)27(22,25)26;/h2-3,6-7,9-10,12,19,21H,4-5,8,11H2,1H3,(H,23,24);/q;+1/p-1

IUPAC

sodium;5-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-yl)amino]pentanoate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Tianeptine

Purity

>95% (HPLC)

Product Description

Primary metabolite of Tianeptine.

References: Dresse, A., et al.: J. Clin. Pharmacol., 28, 1115 (1988), Grislain, L., et al.: Drug Metab. Dispos., 18, 804 (1990),

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Tianeptine Metabolite MC5 Sodium Salt

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