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Clemastine fumarate

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Identification
Molecular formula
C21H26ClNO3 · C4H4O4
CAS number
14976-57-9
IUPAC name
2-[(2-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate
State
State

The compound is solid at room temperature.

Melting point (Celsius)
162.50
Melting point (Kelvin)
435.70
Boiling point (Celsius)
380.20
Boiling point (Kelvin)
653.30
General information
Molecular weight
459.51g/mol
Molar mass
459.5050g/mol
Density
1.2440g/cm3
Appearence

Clemastine fumarate typically presents as a white or slightly yellow, crystalline powder. It is water-soluble and has a slightly bitter taste.

Comment on solubility

Solubility Overview

The compound 2-[(2-chloro-5,6-dihydrobenzob[1]benzothiepin-5-yl)oxy]ethyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate presents an interesting case for solubility due to its complex structure. Understanding its solubility characteristics can be crucial for its applications in various chemical processes.

Factors Influencing Solubility

  • Polar vs Nonpolar Regions: The presence of both polar and nonpolar components within the compound suggests that it may exhibit varied solubility in different solvents. Polar solvents like water may dissolve the polar sections effectively, while nonpolar solvents might solubilize the hydrophobic parts.
  • Hydrogen Bonding: The existence of hydroxyl groups (–OH) encourages hydrogen bonding, which generally enhances solubility in polar solvents.
  • Charge Interaction: As a quaternary ammonium compound, the charged nature may increase solubility in polar solvents, particularly in their ionic form.

Solubility Insights

The solubility of this compound can be summarized as follows:

  1. High Solubility in Water: Due to the ionic character and potential for hydrogen bonding, it is likely to have good solubility in aqueous environments.
  2. Variable Solubility in Organic Solvents: Its solubility may vary significantly; nonpolar solvents might not dissolve it well, while mid-polarity solvents could show moderate solubility.
  3. pH Dependence: The solubility may also be influenced by the pH of the solution, where higher pH levels can enhance the solubility of protonated forms.

In summary, the solubility of this compound is dictated by a combination of its ionic characteristics, hydrogen bonding capacity, and structural features. Understanding these factors is essential for optimizing its use in chemical applications.

Interesting facts

Interesting Facts About 2-[(2-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)oxy]ethyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate

This compound is a fascinating example of modern medicinal chemistry and molecular design, showcasing the intersection of pharmacology and organic synthesis. Here are some intriguing highlights:

  • Pharmacological Potential: The structure of this compound suggests potential applications in treating various conditions, particularly in the fields of neuropharmacology and cancer research.
  • Unique Structure: The presence of a thiepin scaffold in this compound contributes to its unique chemical behavior, allowing it to interact with biological targets in innovative ways.
  • Dimethylammonium Moiety: The dimethylammonium group enhances solubility and reactivity, making the compound a suitable candidate for drug formulation.
  • 4-hydroxy-4-oxo-but-2-enoate: This part of the molecule is particularly notable as it could play a vital role in the compound's activity, possibly influencing its metabolism and therapeutic efficacy.

As a student of chemistry, one could argue that the design of compounds like this illustrates a *systematic approach to solving complex biological problems*. In this instance, the multi-faceted structure hints at multiple mechanisms of action, which can be vital for drug efficacy. The addition of the chloro group may also indicate improved interactions with specific receptors or enzymes, a common strategy in drug design to enhance specificity.

One can consider the synthesis pathway for this compound as an exciting topic of study—each step requires precision and creativity, showcasing the art and science of chemistry. As the pharmaceutical landscape continues to evolve, compounds of this nature will likely play pivotal roles in emerging therapies.