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Cetirizine

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Identification
Molecular formula
C21H25Cl2N3OS
CAS number
83881-51-0
IUPAC name
3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]propyl-dimethyl-ammonium;dichloride
State
State

At room temperature, cetirizine is typically in a solid state. As a pharmaceutical compound, it is often prepared and given in a form that is easily administered, such as tablets or capsules.

Melting point (Celsius)
111.00
Melting point (Kelvin)
384.15
Boiling point (Celsius)
507.10
Boiling point (Kelvin)
780.25
General information
Molecular weight
461.83g/mol
Molar mass
461.8250g/mol
Density
1.0966g/cm3
Appearence

Cetirizine appears as a white, crystalline solid. It is often available in the form of tablets or capsules and is used commonly in pharmaceutical formulations. This compound is not typically identifiable by color changes or other immediate visual cues besides its solid, crystalline form.

Comment on solubility

Solubility of 3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]propyl-dimethyl-ammonium; dichloride

The solubility of 3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]propyl-dimethyl-ammonium; dichloride can be influenced by several factors, including polarity, molecular weight, and ionic strength. Generally, salts like this compound tend to have varying solubility in different solvents. Here are some key points to consider:

  • Solvent Effects: Solubility tends to be higher in polar solvents such as water, given the ionic nature of the dichloride.
  • Temperature Dependency: Increased temperature often enhances solubility, which could be significant for this compound during dissolution.
  • pH Influence: The nature of the surrounding medium's pH may affect the solubility, especially as the quaternary ammonium compound could interact differently under varying pH conditions.
  • Ionic Strength: High ionic strength in the solution can sometimes reduce solubility due to the common ion effect, which may be relevant for this salt.

Considering the various interactions and the potential for complex solubility behavior, it is recommended to conduct empirical tests to determine the exact solubility characteristics of this compound in specific solvents. As stated, "the solubility of compounds can often unveil their practical applications in various fields such as pharmaceuticals and material science."


In summary, while the expected solubility is greater in polar environments, specific experimental data would be necessary to quantify and fully understand the solubility profile of this intriguing chemical compound.

Interesting facts

Interesting Facts about 3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]propyl-dimethyl-ammonium; dichloride

This compound is a member of the ammonium salt family, characterized by its unique structure and potential applications. It features a tetrahydro-quinoline moiety, which is known for its significance in various biological and pharmaceutical contexts. Here are some intriguing aspects of this compound:

  • Biological Relevance: The quinoline derivatives are often investigated for their antimicrobial and antiviral properties. This particular compound’s structural features may contribute to its biological activity, making it a candidate for further research in drug discovery.
  • Sulfanyl Group: The presence of the sulfanyl (-SH) group is noteworthy, as it can enhance the reactivity of the compound. Sulfanyl groups are often involved in nucleophilic substitution reactions and are key players in the synthesis of various complex organic molecules.
  • Quaternary Ammonium Compounds: As a quaternary ammonium salt, this compound may exhibit properties such as cationic surfactant activity. These compounds are widely used in products ranging from disinfectants to fabric softeners, demonstrating their versatility in industrial applications.
  • Film-Forming Ability: Some quaternary ammonium compounds show excellent film-forming ability, suggesting potential applications in coatings and adhesives, where a durable, protective layer is desirable.
  • Research Potential: Given its complex structure, this compound opens up avenues for research in medicinal chemistry. Scientists may explore its mechanisms of action, toxicity, and efficacy in varying biological contexts.

An interesting quote from a notable chemist states, “The beauty of chemistry lies in the infinite possibilities of molecular arrangement and interaction.” This compound exemplifies that beauty, inviting inquisitiveness and deeper exploration into its potential functionalities and applications.

In summary, the combination of its structural elements, biological significance, and practical applications makes this compound a captivating subject for chemists and researchers alike.

Synonyms
18833-70-0
6H-Cyclohepta(b)quinoline, 2-chloro-11-((3-(dimethylamino)propyl)thio)-7,8,9,10-tetrahydro-, dihydrochloride