Tianeptine | CAS No. 72797-41-2

Tianeptine

Basic Information

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CAS Number

72797-41-2

Molecular Formula

C21H25ClN2O4S

Molecular Weight

436.95 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

144-147°C

Density

1.38±0.1 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (2.8E-3 g/L) (25 ºC),

SMILES

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CN1C2=CC=CC=C2C(C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)O

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

LogP

4.192600000000003

Topological Polar Surface Area

86.71000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

654

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(S)-tianeptine
Stablon (TN)
AKU7QFL9ZT
7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid
7-{[(11S)-3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl]amino}heptanoic acid
Q-100759
XV6773012I
s5087
CHEMBL1289110
EINECS 276-851-9
DB09289
Tianeptine, (-)-
0T493YFU8O
UNII-AKU7QFL9ZT
169293-31-6
CHEBI:91749
ZB1716
TPI-1062
TIANEPTINE [NFLIS-DRUG]
SCHEMBL49293
FT-0630770
7-[[(11R)-3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-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
CCG-269088
A835601
GTPL7558
Tianeptineacid
CS-0433
7-((3-Chloro-6,11-dihydro-6-methyldibenzo(c,f)(1,2)thiazepin-11-yl)amino)heptanoic acid S,S-dioxide
7-[(3-chloro-6-methyl-5,5-dioxo-11H-benzo[c][2,1]benzothiazepin-11-yl)amino]heptanoic acid
D02575

MDL Number

MFCD00865376

FAQ

What regulatory guidelines apply to Tianeptine (CAS: 72797-41-2)?

Tianeptine (CAS: 72797-41-2) is subject to multiple regulatory guidelines, including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA or EPA requirements in the United States. Manufacturers and handlers must adhere to these guidelines for proper labeling, storage, transportation, and disposal.

Are there alternatives to Tianeptine (CAS: 72797-41-2) in synthesis?

Yes, there are alternatives to Tianeptine (CAS: 72797-41-2) in synthesis, such as analogs like 8-chlorotianeptine and isomers like (R)-tianeptine. Common alternative reagents include substituted benzamides and other amine compounds, which can serve as effective substitutes in the synthesis of similar compounds.

What is the market or research trend for Tianeptine (CAS: 72797-41-2)?

The market for Tianeptine (CAS: 72797-41-2) is growing due to its potential in treating depression and anxiety. Research trends are focused on understanding its mechanisms of action, developing new formulations, and exploring its use in combination with other treatments. The compound's popularity is also driven by its unique pharmacological profile compared to traditional antidepressants.

How should waste containing Tianeptine (CAS: 72797-41-2) be handled?

Waste containing Tianeptine (CAS: 72797-41-2) should be collected and disposed of in accordance with local regulations. Proper collection involves neutralizing the waste to minimize environmental impact, followed by incineration or professional waste disposal services. Environmental protection precautions include using appropriate protective gear and ensuring compliance with environmental safety standards.