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Lurasidone

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Identification
Molecular formula
C28H36ClN3O2
CAS number
367514-87-2
IUPAC name
1-(3-chlorobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazin-4-ium;4-hydroxy-4-oxo-but-2-enoate
State
State
At room temperature, Lurasidone is typically in a solid state as a powder, which is used in its formulation for medical applications.
Melting point (Celsius)
187.00
Melting point (Kelvin)
460.15
Boiling point (Celsius)
525.00
Boiling point (Kelvin)
798.15
General information
Molecular weight
492.57g/mol
Molar mass
492.5660g/mol
Density
1.2685g/cm3
Appearence
Lurasidone, in its pure form, appears as a white to off-white crystalline powder. It is often utilized in pharmaceutical formulations.
Comment on solubility

Solubility of 1-(3-chlorobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazin-4-ium; 4-hydroxy-4-oxo-but-2-enoate

The solubility of the compound 1-(3-chlorobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazin-4-ium; 4-hydroxy-4-oxo-but-2-enoate can be influenced by various factors, primarily due to its complex structure. Understanding the solubility properties is crucial for its applications and effectiveness in chemical processes.

Key Factors Affecting Solubility:

  • Molecular structure: The presence of functional groups, such as piperazine and hydroxyl functionalities, can enhance solubility in polar solvents.
  • Polarity: The overall polarity of the molecule plays a significant role. If a compound has high polarity, it typically exhibits greater solubility in polar solvents like water.
  • Temperature: Solubility can increase with temperature, although this is not universally applicable to all compounds.
  • pH of the solvent: As an ionic compound, the solubility may be pH-dependent, especially for protonated amines.

In research contexts, it is often stated that "the solubility of a substance is a balance between the interactions of the molecules with one another compared to their interactions with the solvent." Therefore, one can anticipate variations in solubility based on the environment the compound is placed in. Overall, the solubility of this compound might be moderate in polar solvents but less favorable in non-polar environments.

Interesting facts

Interesting Facts About 1-(3-chlorobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazin-4-ium; 4-hydroxy-4-oxo-but-2-enoate

This compound presents a fascinating intersection of chemical structure and potential applications, particularly in the field of medicinal chemistry. Here are some noteworthy points:

  • Complex Structure: The compound features a unique fusion of a chlorobenzo[b][1]benzoxepin moiety and a piperazin-4-ium structure, which contributes to its diverse chemical behavior. The presence of both aromatic and heterocyclic components enhances its interactiveness with biological targets.
  • Biological Activity: Compounds like this one, characterized by their piperazine and benzoxepin units, have been studied for their potential in pharmaceutical applications. They may exhibit activity against various neurological disorders and demonstrate anti-inflammatory properties.
  • Importance of Functional Groups: The incorporation of the 4-hydroxy-4-oxo-but-2-enoate group is vital. This moiety may contribute to the compound's ability to participate in biological interactions and enhance its solubility, making it actionable in drug formulations.
  • Structure-Activity Relationship (SAR): In medicinal chemistry, the design and modification of compounds like this one are guided by SAR studies. By tweaking the chemical structure, researchers can optimize efficacy and minimize side effects, leading to safer and more effective therapeutic agents.
  • Research and Development: Such compounds are at the forefront of research, particularly in the context of developing new treatments for diseases where current medications have limitations. The exploration of its pharmacokinetics and toxicity will be essential steps in the development process.

In summary, the compound 1-(3-chlorobenzo[b][1]benzoxepin-5-yl)-4-methyl-piperazin-4-ium; 4-hydroxy-4-oxo-but-2-enoate is not just a molecule but a gateway to exploring new therapeutic landscapes. As scientific inquiry into its properties deepens, it holds the promise of contributing significantly to advancements in pharmacology.