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Varenicline

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Identification
Molecular formula
C32H42N4
CAS number
249296-44-4
IUPAC name
3-benzyl-9-[4-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)butyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane
State
State
At room temperature, Varenicline is typically in a solid state.
Melting point (Celsius)
230.00
Melting point (Kelvin)
503.00
Boiling point (Celsius)
267.80
Boiling point (Kelvin)
541.00
General information
Molecular weight
486.66g/mol
Molar mass
486.6590g/mol
Density
1.0300g/cm3
Appearence

Varenicline is a pharmaceutical compound that appears as a white to off-white powder.

Comment on solubility

Solubility of 3-benzyl-9-[4-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)butyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane

The solubility of 3-benzyl-9-[4-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)butyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane is influenced by its complex structure. This compound showcases unique characteristics that impact its solubility behavior:

  • Hydrophilicity vs. Lipophilicity: The presence of multiple nitrogen atoms in the aza-bicyclo structure often introduces polar characteristics, potentially increasing solubility in polar solvents.
  • Ionization: The quaternary ammonium group in this molecule might facilitate ionization in aqueous solutions, enhancing its solubility in water.
  • Alkyl Substituents: The bulky benzyl groups may exhibit hydrophobic interactions, making the compound less soluble in highly polar solvents but possibly increasing solubility in organic solvents.

As a result, it can be expected that:

  1. In polar solvents, such as water, the solubility could be moderate to high due to the ionic nature.
  2. In non-polar solvents, the compound may demonstrate significantly lower solubility, owing to steric hindrance and hydrophobicity from the benzyl groups.

Overall, the solubility of this compound can vary significantly depending on the solvent used, thus making it an intriguing subject for further exploration.

Interesting facts

Fascinating Insights into 3-benzyl-9-[4-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)butyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane

This compound, featuring a complex structure, belongs to a class of bicyclic compounds that have garnered attention due to their unique properties and potential applications. Here are some interesting facts about it:

  • Competitive Binding: This compound is of particular interest in the study of molecular interactions, especially in the context of its ability to bind selectively to various biological targets.
  • Structure-Activity Relationship: The intricate bicyclo[3.3.1] nonane framework allows for a diverse range of modifications. Changes in substitution patterns can dramatically influence the compound's biological activity, making it a valuable molecule for medicinal chemistry.
  • Potential Therapeutic Applications: Compounds of this nature are being explored for their potential roles in treating neurological disorders due to their ability to cross the blood-brain barrier and interact with neurotransmitter systems.
  • Asymmetric Synthesis: The synthesis of this compound often involves advanced techniques in asymmetric synthesis, allowing for the production of enantiomerically pure samples that are crucial for pharmacological studies.
  • Research Opportunities: The complexity and versatility of this compound make it an exciting subject for research, particularly in the fields of neuropharmacology and supramolecular chemistry.

In summary, 3-benzyl-9-[4-(3-benzyl-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)butyl]-9-methyl-3-aza-9-azoniabicyclo[3.3.1]nonane embodies a fascinating blend of structural complexity and therapeutic potential. As scientists delve deeper into its properties, this compound may pave the way for innovative treatments and advanced materials in the future.