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Flupentixol

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Identification
Molecular formula
C23H27ClFN2OS
CAS number
51529-01-2
IUPAC name
3-(2-fluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethyl-ammonium;chloride
State
State

At room temperature, flupentixol hydrochloride is in a solid state. It is typically encountered as a powder.

Melting point (Celsius)
231.50
Melting point (Kelvin)
504.70
Boiling point (Celsius)
305.40
Boiling point (Kelvin)
578.50
General information
Molecular weight
434.95g/mol
Molar mass
434.9470g/mol
Density
1.2536g/cm3
Appearence

Flupentixol hydrochloride is a white or almost white crystalline powder. It is odorless or nearly odorless.

Comment on solubility

Solubility of 3-(2-fluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethyl-ammonium chloride

This compound, characterized by its complex structure, demonstrates interesting solubility properties. The presence of the quaternary ammonium group typically enhances solubility in polar solvents. In particular:

  • Water Solubility: The chloride ion can promote solubility in water, allowing this compound to dissolve effectively, particularly at elevated temperatures.
  • Solvent Compatibility: Due to its polar characteristics, it shows good solubility in many organic solvents, which may include:
    • Dimethyl sulfoxide (DMSO)
    • Acetonitrile
    • Ethanol

However, it is critical to note that its solubility can be affected by factors such as:

  • Temperature: Higher temperatures generally enhance solubility.
  • pH Levels: Changes in pH can lead to alterations in the solvation of the compound.

Moreover, as with many ammonium salts, the complex arrangement of the molecular structure can influence how readily it distributes in various mediums. In conclusion, while 3-(2-fluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethyl-ammonium chloride is soluble in water and various organic solvents, the precise solubility characteristics can vary based on environmental conditions.

Interesting facts

Interesting Facts about 3-(2-Fluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethyl-ammonium; chloride

This compound is a fascinating example of a quaternary ammonium salt, a class of compounds known for their diverse applications in various fields ranging from pharmaceuticals to materials science. Here are some remarkable aspects of this compound:

  • Pharmacological Relevance: The core structure of this compound is derived from a benzothiepin framework, which is often associated with various biological activities, making it a candidate for research in therapeutic applications.
  • Fluorine Substitution: The presence of a fluoro group significantly alters the electronic properties of the compound, enhancing its interaction profiles and solubility properties, which can be crucial for biological activity.
  • Quaternary Ammonium Functionality: As a quaternary ammonium compound, it possesses a positive charge at physiological pH, imparting unique characteristics, such as improved permeability through cell membranes, which is essential for drug delivery systems.
  • Ion-Exchange Properties: The chloride ion in this compound can facilitate various ion-exchange reactions, opening up applications in fields such as catalysis and ion-selective electrodes.
  • Research Potential: Due to its complex structure and unique properties, this compound stands as a target for synthetic chemists looking to innovate in drug design and discovery.

In conclusion, 3-(2-fluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)propyl-dimethyl-ammonium; chloride is not just a compound of chemical interest but also a potential player in advanced therapeutic strategies and material sciences. Its study could lead to new discoveries in how chemical modifications influence biological activity.

Synonyms
Dibenz(b,e)thiepin, 6,11-dihydro-11-(3-(dimethylamino)propyl)-2-fluoro-, hydrochloride
6,11-Dihydro-11-(3-(dimethylamino)-1-propyl)-2-fluorodibenz(b,e)thiepin hydrochloride
848-77-1