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Product Overview

Product Code

TRC-T436830

CAS Number

66981-77-9

Product Format

Neat

Molecular Formula

C23H29ClN2O4S

Molecular Weight

465.01

Product Categories

TRC, Impurity Reference Materials , API Reference Standards & Research Materials

Product Type

API

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Product Information

Chemical Data

Analyte Name

Tianeptine Ethyl Ester

CAS Number

66981-77-9

Molecular Formula

C23H29ClN2O4S

Molecular Weight

465.01

Accurate Mass

464.1537

SMILES

CCOC(=O)CCCCCCNC1c2ccccc2N(C)S(=O)(=O)c3cc(Cl)ccc13

InChI

InChI=1S/C23H29ClN2O4S/c1-3-30-22(27)12-6-4-5-9-15-25-23-18-10-7-8-11-20(18)26(2)31(28,29)21-16-17(24)13-14-19(21)23/h7-8,10-11,13-14,16,23,25H,3-6,9,12,15H2,1-2H3

IUPAC

ethyl 7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][1,2]benzothiazepin-11-yl)amino]heptanoate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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