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Chlorcyclizine

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Identification
Molecular formula
C18H21ClN2OS
CAS number
82-93-9
IUPAC name
[5-chloro-14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methanol
State
State

At room temperature, chlorcyclizine is in a solid state. It is stable under ordinary conditions and typically handled in powder or tablet form.

Melting point (Celsius)
138.00
Melting point (Kelvin)
411.15
Boiling point (Celsius)
426.00
Boiling point (Kelvin)
699.15
General information
Molecular weight
341.86g/mol
Molar mass
341.8570g/mol
Density
1.2720g/cm3
Appearence

Chlorcyclizine appears as a white to off-white crystalline powder. It does not have a distinct odor and is typically supplied in solid form for pharmaceutical use.

Comment on solubility

Solubility Overview of 5-chloro-14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methanol

The solubility of the compound 5-chloro-14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methanol is a complex topic due to its unique molecular structure.

Factors influencing its solubility include:

  • Polarity: The presence of the -OH group in the methanol part suggests some degree of polarity, which typically enhances solubility in polar solvents like water.
  • Size and Structure: The bulky tetracyclic structure may hinder solubility due to steric factors, potentially leading to low aqueous solubility.
  • Amine Groups: The diethylamino group can impart some hydrophilicity, which may increase solubility in certain organic solvents.

Experimental studies can further delineate specific solubility parameters. In practical terms, one may consider:

  1. Testing solubility across various solvents, including water, ethanol, and dimethyl sulfoxide (DMSO).
  2. Assessing temperature effects, as solubility may increase with temperature for some compounds.
  3. Utilizing methods such as solubility charts or supersaturation techniques to determine the practical limits of dissolution.

In conclusion, while the theoretical solubility can be inferred from structural characteristics, actual solubility measurements are paramount for understanding this compound's behavior in different environments.

Interesting facts

Interesting Facts about 5-chloro-14-[2-(diethylamino)ethyl]-8-thia-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-10-yl]methanol

This compound represents a fascinating example of synthetic chemistry, showcasing the complexities and intricacies involved in creating molecules with specific functionalities. Here are some intriguing aspects of this compound:

  • Structure Complexity: With its unique tetracyclo framework, this molecule displays a remarkable polycyclic structure which might contribute to its biological activity. The *thio* (-S-) and *aza* (N) functionalities are significant in enhancing its chemical properties.
  • Biological Relevance: Compounds containing diethylamino groups are often related to pharmacological activity, and their inclusion in this structure could suggest potential uses in medicinal chemistry. The variation of nitrogen atoms could create interesting interactions in biological systems.
  • Chirality: The potential for chiral centers in the molecule may lead to different stereoisomers that can have diverse biological effects. This diversity is an important area of study in drug development.
  • Potential Applications: Given its complex structure and biological relevance, this compound may inspire research into innovative therapeutic agents or serve as a template for the synthesis of more effective drugs.

In the words of a renowned chemist, *"The beauty of chemistry is in the countless ways molecules can interact and influence each other.”* The intricacies of this compound not only make it a subject of interest for researchers but also a reminder of the creative possibilities within the field of chemistry.

Synonyms
IA 4
IA-4
24167-40-6
8-Chloro-2-(2-(diethylamino)ethyl)-2H-(1)benzothiopyrano(4,3,2-cd)indazole-5-methanol
2H-(1)Benzothiopyrano(4,3,2-cd)indazole-5-methanol, 8-chloro-2-(2-(diethylamino)ethyl)-
2H-[1]Benzothiopyrano[4,3,2-cd]indazole-5-methanol, 8-chloro-2-[2-(diethylamino)ethyl]-
8-Chloro-2-[2-(diethylamino)ethyl]-2H-[1]benzothiopyrano[4,3,2-cd]indazole-5-methanol
BRN 1032144
DTXSID00178874
SPW3PFQ9WF
SCHEMBL7489756
SCHEMBL29372928
8-Chloro-2-(2-diethylaminoethyl)-5-hydroxymethyl-2H-[1]benzothiopyrano[4,3,2-cd]indazole