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Clopenthixol

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Identification
Molecular formula
C18H19ClN2O3
CAS number
53746-45-5
IUPAC name
9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol
State
State

Clopenthixol is a solid at room temperature. It is often used in the form of tablets or sometimes in a liquid solution for medical administration.

Melting point (Celsius)
124.50
Melting point (Kelvin)
397.65
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.15
General information
Molecular weight
399.82g/mol
Molar mass
399.8220g/mol
Density
1.4600g/cm3
Appearence

Clopenthixol typically appears as an off-white to light yellow crystalline powder. It is known for its hygroscopic nature, meaning it can absorb moisture from the air, causing it to clump or change in consistency if not stored properly.

Comment on solubility

Solubility of 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol

The solubility of the compound 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol, with the chemical formula C18H19ClN2O3, can be influenced by several factors:

  • Polarity: The presence of hydroxyl groups (–OH) suggests that the compound could interact favorably with polar solvents, potentially enhancing its solubility in water.
  • Hydrogen bonding: The multiple functional groups may facilitate hydrogen bonding, which often increases solubility in polar solvents.
  • Saturated vs Unsaturated: The tetrahydro component indicates some saturation, which may influence how the molecule interacts with solvents, particularly organic ones.
  • Chlorine atom: The chlorine substituent could offer unique interactions in various solvent systems, potentially adjusting solubility dynamics.

In summary, while specific solubility data for this compound may not be readily available, it is likely to display considerable solubility in polar solvents due to its functional groups. As noted in many studies, the structural aspects like hydrogen bonding and the presence of electronegative elements play a critical role in determining solubility profiles.

Interesting facts

Interesting Facts about 9-Chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol

This compound is a fascinating example of the complex chemistry found in organic molecules, particularly in the realm of medicinal chemistry. With its multiple functional groups and a unique structure, it presents a plethora of intriguing properties and potential applications. Here are some notable facts:

  • Complex Structure: The presence of a benzazepine ring system makes this compound structurally rich. Benzazepines, in general, are important because they often serve as the backbone for various pharmaceutical agents.
  • Biological Activity: Compounds like this one typically exhibit significant biological activity. Researchers are particularly interested in their potential as therapeutic agents, particularly in psychiatric and neurological applications.
  • Chirality and Isomerism: This molecule features multiple stereocenters, which provides an opportunity for exploring stereochemical diversity. Different stereoisomers may possess varying bioactivities, emphasizing the importance of chirality in drug design.
  • Phenolic Component: The 4-hydroxyphenyl group contributes to the molecule’s ability to engage in hydrogen bonding and can influence its solubility and interaction with biological systems.
  • Implications in Research: The research surrounding similar compounds focuses on their mechanisms of action. Understanding how this compound interacts at the molecular level can lead to insights into its efficacy and safety in therapeutic contexts.

In the words of a well-known chemist, "The chemistry of life is more like the chemistry of complexity than simplicity." This compound perfectly embodies that sentiment, revealing layers of intricacy in its structure and function.

As research advances, compounds such as 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol may pave the way for groundbreaking discoveries in medication development. Thus, the potential for this compound to impact human health cannot be understated.