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Clomipramine

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Identification
Molecular formula
C19H23ClN2
CAS number
303-49-1
IUPAC name
3-(3-chloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethyl-ammonium;4-hydroxy-4-oxo-butanoate
State
State

At room temperature, Clomipramine is in solid state. It is stable under normal conditions and is usually handled in tablet or capsule form in pharmaceutical settings.

Melting point (Celsius)
190.00
Melting point (Kelvin)
463.15
Boiling point (Celsius)
390.00
Boiling point (Kelvin)
663.15
General information
Molecular weight
314.83g/mol
Molar mass
314.8300g/mol
Density
1.0604g/cm3
Appearence

Clomipramine typically appears as a white or off-white crystalline powder. It may also appear in a solid form for pharmaceutical preparations such as tablets or capsules.

Comment on solubility

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

The solubility characteristics of the compound 3-(3-chloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethyl-ammonium;4-hydroxy-4-oxo-butanoate can be quite intricate due to its complex structure. Here are some key points to consider:

  • Solvent Interaction: This compound may show varying solubility in different solvents. Generally, quaternary ammonium compounds are more soluble in polar solvents due to their ionic character.
  • Hydrophobic Properties: The presence of the benzo[c][1]benzothiepin moiety adds a degree of hydrophobicity, which may limit solubility in water.
  • pH Dependence: The solubility might also be affected by the pH of the solution, particularly due to the presence of the carboxylate functional group from 4-hydroxy-4-oxo-butanoate, which can become ionized under basic conditions.
  • Concentration Factors: At varying concentrations, solubility may experience shifts, potentially leading to saturation or precipitation in the solution.

In conclusion, while a precise solubility value is essential for practical applications, understanding the balance of hydrophilic and hydrophobic interactions, along with environmental factors such as temperature and pH, is crucial for predicting how this compound will behave in different solutions. Such insights enable a better grasp of its potential applications in various chemical contexts.

Interesting facts

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

This compound presents a fascinating intersection of organic and medicinal chemistry, showcasing the complexity of drug design. Below are some notable aspects:

  • Dual Nature: This compound features a quaternary ammonium structure, making it a cationic species. The presence of the electron-withdrawing chloro groups on the benzo[c][1]benzothiepin skeleton can significantly impact its reactivity and interaction with biological systems.
  • Therapeutic Potential: Compounds of similar structures have been investigated for their potential pharmacological properties, particularly in treating neurodegenerative diseases like Alzheimer’s. The unique structural features may enable it to cross the blood-brain barrier effectively.
  • Interactions with Enzymes: The 4-hydroxy-4-oxo-butanoate moiety may play a role in enzyme inhibition or activation, providing another layer to its potential biological activity.
  • Synthetic Challenge: The synthesis of this compound likely involves multiple steps and careful choice of reagents to ensure that the integrity of both the benzothiepin core and the functional groups are maintained throughout the reaction sequence.

In summary, 3-(3-chloro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethyl-ammonium;4-hydroxy-4-oxo-butanoate exemplifies the intricate relationship between structure and function in chemistry. As research advances, understanding its mechanism of action and refining its synthesis could reveal exciting applications in pharmaceuticals.