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Chemical structure of Tianeptine sodium

GC10121

Tianeptine sodium

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

Tianeptine sodium is a selective facilitator of 5-HT uptake

ChemicalCAS30123-17-2MW458.93FormulaC21H24ClN2NaO4S
CAS number
30123-17-2
Molecular weight
458.93
Formula
C21H24ClN2NaO4S
Solubility
≥ 22·9mg/mL in DMSO, ≥ 16·27 mg/mL in EtOH with ultrasonic, ≥ 50·3 mg/mL in Water with ultrasonic
InChIKey
ZLBSUOGMZDXYKE-UHFFFAOYSA-M
Catalogue number
GC10121
Brand
GLPBIO
Computed properties PubChem CID 23663953 · TPSA 97.9 Ų · H-bond donors 1 · H-bond acceptors 6
TPSA
97.9 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
30

SMILES CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)[O-].[Na+]

Computed descriptors from PubChem (CID 23663953), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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