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Tianeptine

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Identification
Molecular formula
C21H25ClN2O4S
CAS number
66981-73-5
IUPAC name
dimethyl-[3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]ammonium;4-hydroxy-4-oxo-butanoate
State
State

The compound is a solid at room temperature. It is utilized primarily in the form of a salt for therapeutic purposes, having a stable crystalline structure.

Melting point (Celsius)
148.00
Melting point (Kelvin)
421.15
Boiling point (Celsius)
418.15
Boiling point (Kelvin)
691.30
General information
Molecular weight
436.95g/mol
Molar mass
436.5530g/mol
Density
1.2790g/cm3
Appearence

Tianeptine generally appears as a white or slight off-white crystalline powder. It is relatively odorless and typically used in its salt form for pharmaceutical applications.

Comment on solubility

Solubility of Dimethyl-[3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]ammonium; 4-hydroxy-4-oxo-butanoate

The solubility of the compound dimethyl-[3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]ammonium; 4-hydroxy-4-oxo-butanoate can be described as follows:

  • Polar and Ionic Character: Due to the presence of the ammonium group, this compound is likely to exhibit a degree of polarity.
  • Functional Groups: The hydroxyl and keto functional groups may enhance solubility in polar solvents, such as water.
  • Hydrogen Bonding: The ability of the hydroxyl group to form hydrogen bonds can greatly increase solubility in aqueous environments.
  • Non-Polar Components: The heterocyclic structure might impart some non-polar characteristics, potentially limiting solubility in highly polar solvents.

In summary, this compound likely demonstrates variable solubility, being more soluble in polar solvents compared to non-polar ones. This balancing act between polar and non-polar regions in its structure is crucial in determining its overall solubility profile.

Interesting facts

Interesting Facts about Dimethyl-[3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]ammonium;4-hydroxy-4-oxo-butanoate

This compound is a fascinating example of the intricate world of organic chemistry, showcasing both unique structural characteristics and potential applications. Here are some interesting aspects:

  • Complex Structure: The presence of the benzo[c][1]benzothiepin moiety contributes to a complex ring structure that might impact its biological activity and interactions with other molecules.
  • Potential Biological Activity: Compounds bearing a similar structure have been studied for their pharmacological properties. The thiepin ring, in particular, has been associated with compounds that may exhibit therapeutic effects against various diseases.
  • Charge Properties: As a quaternary ammonium compound, this compound can have cationic features that enhance its solubility in organic solvents and its ability to penetrate cellular membranes, making it potentially useful in drug delivery systems.
  • Innovative Synthesis: The synthesis of this compound likely involves advanced techniques in organic synthesis, demonstrating the innovative pathways that chemists must navigate to create complex molecules.
  • Interdisciplinary Connections: This compound is not only of interest to chemists but also to biochemists and pharmacologists, emphasizing the collaborative nature of modern scientific research and how different disciplines converge in the study of new compounds.

In summary, dimethyl-[3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propyl]ammonium;4-hydroxy-4-oxo-butanoate represents a bridge between structure and function, opening doors to potential applications in medicinal chemistry. As we continue to explore such compounds, we deepen our understanding of molecular interactions and the development of future therapeutic agents.