Tianeptine

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

CAS: 72797-41-2

Molecular Formula	`C21H25ClN2O4S`
Molecular Weight	437.0 g/mol
LogP	1.2
Topological Polar Surface Area	95.1 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	436.12234
Heavy Atoms	29
Complexity	654.0

Chemical Identifiers

CAS Number	72797-41-2
SMILES	`CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)O`
InChIKey	`JICJBGPOMZQUBB-UHFFFAOYSA-N`

📖 Product Overview

Tianeptine (CAS: 72797-41-2) is a chemical compound with molecular formula C21H25ClN2O4S and molecular weight 437.0 g/mol. Its IUPAC systematic name is 7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid. LogP 1.2 Topological Polar Surface Area 95.1 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 436.12234 Heavy Atoms 29 Complexity 654.0 InChI Key: JICJBGPOMZQUBB-UHFFFAOYSA-N. SMILES: CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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