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Zotepine

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Identification
Molecular formula
C27H29F2NO2S
CAS number
26615-21-4
IUPAC name
3-(3,8-difluoro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate
State
State

At room temperature, Zotepine is typically in a solid state. It is used in tablet or capsule form for pharmaceutical applications.

Melting point (Celsius)
112.00
Melting point (Kelvin)
385.20
Boiling point (Celsius)
496.10
Boiling point (Kelvin)
769.20
General information
Molecular weight
403.47g/mol
Molar mass
403.4740g/mol
Density
1.3000g/cm3
Appearence

Zotepine typically appears as a crystalline solid. The compound's purity and physical state can vary based on its formulation and use in pharmaceutical preparations.

Comment on solubility

Solubility of 3-(3,8-difluoro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate

The solubility of the compound 3-(3,8-difluoro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate can be a complex topic due to its intricate structure. Here are some key points to consider:

  • Polar vs. Nonpolar: The presence of a dimethylammonium group suggests a degree of polarity, which typically aids in solubility in polar solvents such as water.
  • Hydrogen Bonding: The compound features hydroxyl groups that can participate in hydrogen bonding, potentially enhancing solubility in polar media.
  • Difluoro Substituents: The difluoro substitutions could affect the compound's overall polarity, potentially leading to interesting solubility behavior.
  • Concentration Dependence: Like many organic compounds, the solubility may vary with concentration and temperature, exhibiting different solubility profiles under varying conditions.
  • Solvent Choice: While it may be more soluble in organic solvents, the specific solvent properties should be taken into account for practical applications.

In summary, while the overall solubility can be influenced by various structural aspects, it is essential to conduct empirical testing to accurately determine the solubility characteristics of this specific compound under various conditions.

Interesting facts

Interesting Facts about 3-(3,8-Difluoro-6H-Benzo[c][1]Benzothiepin-11-Ylidene)Propyl-Dimethyl-Ammonium; 4-Hydroxy-4-Oxo-But-2-Enoate

This compound is a fascinating example of how complexity in molecular structure can lead to diverse chemical properties and potential applications. It embodies several distinctive features:

  • Dual Functional Groups: This compound contains both a quaternary ammonium group and a 4-hydroxy-4-oxo-but-2-enoate moiety, which can influence its reactivity and interactions in biological systems.
  • Fluorinated Phenolic Compound: The presence of fluorine atoms is notable. Fluorination can significantly affect the biological activity and chemical stability of organic molecules, making fluorinated compounds a key area of interest in drug design.
  • Potential Therapeutic Uses: Compounds structured similarly often exhibit interesting pharmacological activities, particularly in neurology and cardiology, due to their ability to interact with various biological receptors.
  • Environmental Impact Awareness: As with many complex organic compounds, understanding the environmental impact and degradation pathways is crucial. This particular compound’s stability and reactivity can provide insights into its ecological footprint.
  • Research Interest: The intricate arrangement of atoms presents opportunities for research into novel synthesis techniques and application in materials science, especially in developing advanced coatings or electronic devices.

In summary, 3-(3,8-difluoro-6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethyl-ammonium; 4-hydroxy-4-oxo-but-2-enoate represents the intersection of organic chemistry and practical application. Its unique structural features offer a window into ongoing research in medicinal chemistry, materials science, and environmental chemistry.