Product Code

TRC-T436812

CAS Number

1330171-36-2

Product Format

Neat

Molecular Formula

C19H16D4ClN2NaO4S

Molecular Weight

434.91

API Family

Tianeptine

Product Categories

TRC, Stable Isotope Labelled Analytical Standards, API Reference Standards & Research Materials, Stable isotopes, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, Metabolite, Bioactive Small Molecule, API

Unlabelled CAS Number

115220-11-6

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Tianeptine Metabolite MC5-d4 Sodium Salt

CAS Number

1330171-36-2

Molecular Formula

C19H16D4ClN2NaO4S

Molecular Weight

434.91

Accurate Mass

434.0981

SMILES

ClC1=CC=C(C(NCC([2H])([2H])C([2H])([2H])CC(O[Na])=O)C(C=CC=C2)=C2N(C)S3(=O)=O)C3=C1

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/i4D2,5D2;

Unlabelled CAS Number

115220-11-6

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; Metabolite; API

Product Format

Neat

API Family

Tianeptine

Product Description

Labelled, 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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