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Fentanyl oxalate

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Identification
Molecular formula
C22H28ClFN2O2
CAS number
56932-43-5
IUPAC name
4-[4-(3-chlorophenyl)-4-(pyrrolidin-1-ium-1-carbonyl)piperidin-1-ium-1-yl]-4-fluoro-1-phenyl-butan-1-one;oxalate
State
State

This compound is commonly found as a crystalline solid under standard conditions. It is often handled in the form of its oxalate salt for ease of measurement and use.

Melting point (Celsius)
87.00
Melting point (Kelvin)
360.00
Boiling point (Celsius)
265.00
Boiling point (Kelvin)
538.00
General information
Molecular weight
438.58g/mol
Molar mass
438.5770g/mol
Density
1.1800g/cm3
Appearence

Fentanyl oxalate is typically found as a white to off-white crystalline powder. It is highly soluble in water and organic solvents.

Comment on solubility

Solubility of 4-[4-(3-chlorophenyl)-4-(pyrrolidin-1-ium-1-carbonyl)piperidin-1-ium-1-yl]-4-fluoro-1-phenyl-butan-1-one; oxalate

The solubility of the compound 4-[4-(3-chlorophenyl)-4-(pyrrolidin-1-ium-1-carbonyl)piperidin-1-ium-1-yl]-4-fluoro-1-phenyl-butan-1-one; oxalate is a crucial aspect to consider, given its complex structure. This compound features both hydrophilic and hydrophobic characteristics due to the presence of multiple ionic and aromatic functionalities. Understanding its solubility can be summarized as follows:

  • Hydrophilicity: The pyrrolidin-1-ium and piperidin-1-ium moieties are positively charged, which generally enhances solubility in polar solvents, particularly water.
  • Hydrophobicity: The 3-chlorophenyl and 1-phenyl groups contribute significant hydrophobic character, which may limit solubility in polar solvents.
  • Solvent Dependence: It is anticipated that this compound would exhibit variable solubility based on solvent polarity; for instance, it may dissolve well in polar aprotic solvents, while being less soluble in non-polar solvents.
  • pH Sensitivity: Given the ionic character of the compound, changes in pH may significantly affect the solubility, particularly in biological contexts where pH varies.

In summary, the solubility of 4-[4-(3-chlorophenyl)-4-(pyrrolidin-1-ium-1-carbonyl)piperidin-1-ium-1-yl]-4-fluoro-1-phenyl-butan-1-one; oxalate can be characterized by the interplay between its ionic and hydrophobic segments. The potential for both high solubility in polar solvents and limited solubility in non-polar environments underscores the compound's behavior in different conditions.


Interesting facts

Exploring the Compound: 4-[4-(3-chlorophenyl)-4-(pyrrolidin-1-ium-1-carbonyl)piperidin-1-ium-1-yl]-4-fluoro-1-phenyl-butan-1-one; oxalate

This intriguing compound belongs to a class of chemical compounds that have garnered attention due to their potential applications in both medicinal chemistry and materials science. Here are some key facts worth noting:

  • Pharmacological Significance: Compounds like this are often explored for their pharmacological profiles, potentially serving as candidates for therapeutic agents. Their complex structure makes them interesting for research into novel drug designs.
  • Structural Complexity: The presence of multiple functional groups, including a piperidine ring and a pyrrolidine moiety, contributes to the compound's structural uniqueness and can influence biological activity.
  • Chlorine Substitution: The incorporation of a chlorophenyl group is noteworthy, as chlorine atoms can enhance lipophilicity, affecting how the compound interacts within biological systems.
  • Fluorine Effects: The fluorine atom in the structure is known to modify biological properties significantly, often enhancing metabolic stability and altering receptor interactions.
  • Oxalate Salt Formation: The formation of the oxalate salt may improve the compound's solubility and stability, an essential aspect for developing formulations in pharmaceutical applications.

Researchers continue to investigate compounds with such intricate architectures to unravel their full potential. Each new study could unveil whether this compound could be a future lead in treating diseases or a valuable material in advanced applications.

Synonyms
Haloperidide oxalate
2256-06-6
Butyrophenone, 4-(4-(m-chlorophenyl)-4-(1-pyrrolidinylcarbonyl)piperidino)-4-fluoro-, oxalate
4-[4-(3-Chlorophenyl)-4-(Pyrrolidin-1-Ium-1-Carbonyl)Piperidin-1-Ium-1-Yl]-4-Fluoro-1-Phenylbutan-1-One Oxalate