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ChemicalBook--->CAS DataBase List--->72797-41-2

72797-41-2

72797-41-2 Structure

72797-41-2 Structure
IdentificationBack Directory
[Name]

TIANEPTINE
[CAS]

72797-41-2
[Synonyms]

TPI-1062
Tianeptin
JNJ-39823277
Einecs 276-851-9
7-((3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino)heptanoic acid
7-[(3-Chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid
(±)-7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide
(1)-7-((3-Chloro-6,11-dihydro-6-methyldibenzo(C,F)(1,2)thiazepin-11-yl)amino)heptanoic acid S,S-dioxide
[EINECS(EC#)]

276-851-9
[Molecular Formula]

C21H25ClN2O4S
[MDL Number]

MFCD00865376
[MOL File]

72797-41-2.mol
[Molecular Weight]

436.95
Chemical PropertiesBack Directory
[Melting point ]

129-131?C
[Boiling point ]

609.2±65.0 °C(Predicted)
[density ]

1.38±0.1 g/cm3(Predicted)
[vapor pressure ]

0.001Pa at 25℃
[storage temp. ]

Refrigerator, Under Inert Atmosphere
[form ]

solid
[pka]

4.75±0.10(Predicted)
[InChI]

InChI=1S/C21H25ClN2O4S/c1-24-18-9-6-5-8-16(18)21(23-13-7-3-2-4-10-20(25)26)17-12-11-15(22)14-19(17)29(24,27)28/h5-6,8-9,11-12,14,21,23H,2-4,7,10,13H2,1H3,(H,25,26)
[InChIKey]

JICJBGPOMZQUBB-UHFFFAOYSA-N
[SMILES]

C(O)(=O)CCCCCCNC1C2=CC=C(Cl)C=C2S(=O)(=O)N(C)C2=CC=CC=C21
[LogP]

2.162 at 25℃ and pH6
Safety DataBack Directory
[WGK Germany ]

3
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

Tricyclic compound with psychostimulant, anti-ulcer and anti-emetic properties. Antidepressant.
[Definition]

ChEBI:Tianeptine is a racemate comprising of equimolar amounts of (R)- and (S)-tianeptine. It is an atypical antidepressant used in Europe to treat patients who respond poorly to selective serotonin reuptake inhibitors (SSRIs). It has a role as a mu-opioid receptor agonist, a second generation antipsychotic and an anxiolytic drug. It contains a (R)-tianeptine and a (S)-tianeptine.
[Brand name]

Stablon, Tatinol, and Coaxil among others
[Mechanism of action]

Current research suggests that tianeptine produces its antidepressant effects through the modulation of glutamate receptor activity (for example, AMPA receptors and NMDA receptors) and affect the release of brain-derived neurotrophic factor (BDNF), which impacts neural plasticity.
Spectrum DetailBack Directory
[Spectrum Detail]

Tianeptine(72797-41-2)1HNMR
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