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Varenicline tartrate

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Identification
Molecular formula
C13H13ClN2
CAS number
249296-44-4
IUPAC name
4-(4-azoniatricyclo[5.2.2.02,6]undeca-3,8-dien-4-yl)-1-(4-fluorophenyl)butan-1-one;chloride
State
State

At room temperature, varenicline tartrate is typically in a solid state as a crystalline powder. This form is stable and is used in pharmaceutical formulations like tablets.

Melting point (Celsius)
154.00
Melting point (Kelvin)
427.00
Boiling point (Celsius)
341.00
Boiling point (Kelvin)
614.00
General information
Molecular weight
211.27g/mol
Molar mass
211.2730g/mol
Density
0.8740g/cm3
Appearence

Varenicline tartrate typically appears as a white to off-white crystalline powder. It is odorless and is commonly used in its crystalline form.

Comment on solubility

Solubility Insights

The compound 4-(4-azoniatricyclo5.2.2.02,6undeca-3,8-dien-4-yl)-1-(4-fluorophenyl)butan-1-one; chloride displays intriguing solubility characteristics that are influenced by its complex structure and the presence of the chloride counterion.

Solubility in Various Solvents

This compound can exhibit varying solubility depending on the solvent used. Some common observations include:

  • Polar Solvents: It is generally expected to have increased solubility in polar solvents such as water or alcohol due to potential ion-dipole interactions stemming from the quaternary ammonium nature of the azonium moiety.
  • Non-Polar Solvents: Conversely, solubility in non-polar substances might be limited as the hydrophilic (water-attracting) regions counterbalance the hydrophobic (water-repelling) characteristics of the organic portions of the molecule.

Factors Influencing Solubility

Several factors contribute to the overall solubility of this compound:

  • Molecular Structure: The presence of the fluorophenyl group and the azonium structure significantly influences interactions with solvents.
  • Temperature: As with many compounds, increasing temperature can enhance solubility, enabling better dissolution in solvent.
  • pH Levels: The solubility might vary with pH if the compound can exist in different ionic forms.

In conclusion, while 4-(4-azoniatricyclo5.2.2.02,6undeca-3,8-dien-4-yl)-1-(4-fluorophenyl)butan-1-one; chloride can be generally characterized as soluble in polar solvents, predicting solubility accurately requires considering various environmental conditions and solvent interactions.

Interesting facts

Interesting Facts about 4-(4-Azoniatricyclo[5.2.2.02,6]undeca-3,8-dien-4-yl)-1-(4-fluorophenyl)butan-1-one; Chloride

This complex and intriguing compound belongs to a class of quaternary ammonium salts, which are known for their diverse applications in various fields of chemistry. Here are some fascinating insights regarding this compound:

  • Structure Complexity: The unique architecture of this compound involves a tricyclic system that contributes to its chemical behavior. This structure makes it a subject of interest among chemists studying molecular geometry and interaction.
  • Electrophilic Character: The presence of a quaternary ammonium ion in its structure bestows significant electrophilic characteristics, making it a valuable reagent in organic synthesis.
  • Potential Applications: Compounds like this one are often explored for their antibacterial properties, surfactant behavior, and utility in drug delivery systems.
  • Research Tool: Due to its structural complexity, this compound can serve as a fascinating model in the study of complex biological interactions and molecular diagnostics.

As research continues in the field, the exploration of compounds similar to this one may yield important breakthroughs in medicinal chemistry, particularly concerning targeted therapies. The synthesis and characterization of such compounds highlight the innovative spirit of chemical science, where each new discovery can pave the way for exciting advancements.

Understanding the nuances of compounds like 4-(4-azoniatricyclo[5.2.2.02,6]undeca-3,8-dien-4-yl)-1-(4-fluorophenyl)butan-1-one; chloride not only enriches our knowledge of organic chemistry but also expands the horizons for future scientific research.

Synonyms
Butyrophenone, 4'-fluoro-4-(3a,4,7,7a-tetrahydro-4,7-ethanoisoindolin-2-yl)-, hydrochloride
14200-12-5
1-Butanone, 1-(4-fluorophenyl)-4-(1,3,3a,4,7,7a-hexahydro-4,7-ethano-2H-isoindol-2-yl)-, HCl
4'-Fluoro-4-(3a,4,7,7a-tetrahydro-4,7-ethanoisoindolin-2-yl)butyrophenone hydrochloride
DTXSID00931300
2-[4-(4-Fluorophenyl)-4-oxobutyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindol-2-ium chloride