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Fentanyl Citrate

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Identification
Molecular formula
C28H32ClNO4
CAS number
990-73-8
IUPAC name
ethyl 1-[3-oxo-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]-4-phenyl-piperidin-1-ium-4-carboxylate;chloride
State
State

The compound is in a solid state at room temperature, typically as a fine crystalline powder.

Melting point (Celsius)
147.50
Melting point (Kelvin)
420.65
Boiling point (Celsius)
382.45
Boiling point (Kelvin)
655.60
General information
Molecular weight
582.82g/mol
Molar mass
582.8220g/mol
Density
1.2923g/cm3
Appearence

The compound is typically obtained as a white or off-white crystalline powder. It may appear as fine crystals and is often found in hydrated forms depending on the method of crystallization.

Comment on solubility

Solubility of Ethyl 1-[3-oxo-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]-4-phenyl-piperidin-1-ium-4-carboxylate;chloride

The solubility of this complex compound presents a fascinating scenario due to its unique structure and functional groups. Here are some key considerations regarding its solubility:

  • Polar vs Nonpolar: The presence of the piperidinium ion suggests that the compound may have polar characteristics, which could enhance its solubility in polar solvents such as water or ethanol.
  • Hydrophobic Regions: The tricyclic structure along with the phenyl group introduces significant hydrophobic portions. This may limit the solubility in water while promoting solubility in nonpolar organic solvents like chloroform or benzene.
  • Ionization: The carboxylate group can be ionized depending on the pH of the solution, which can influence solubility. In an aqueous solution, it may increase solubility due to the formation of ionic interactions.
  • Temperature Dependency: Solubility is also expected to be affected by temperature, with higher temperatures generally increasing solubility for many compounds.

Therefore, examining solubility requires a multifaceted approach that considers both the polar and nonpolar characteristics of this compound. Understanding its solubility can be crucial for applications in drug design, where bioavailability is heavily influenced by how well a compound dissolves in physiological environments.

Interesting facts

Interesting Facts about Ethyl 1-[3-oxo-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]-4-phenyl-piperidin-1-ium-4-carboxylate;chloride

This compound is a fascinating example of synthetic organic chemistry, exemplifying the complexity that modern chemical synthesis can achieve. Its intricate structure combines various functional groups and cyclic components, showcasing the beauty and diversity of organic molecules.

Notable Features:

  • Tricyclic Structure: The inclusion of a tricyclo[9.4.0.03,8]pentadecane derivative not only contributes to the rigidity of the molecule but also impacts its electronic properties significantly.
  • Piperidine Ring: The presence of the piperidin-1-ium moiety indicates a quaternary ammonium compound, which can be important in biological activity and ionic interactions.
  • Oxidation State: The keto group (3-oxo) plays a critical role in reactivity, opening pathways for further chemical transformations that are of great interest in medicinal chemistry.

This compound's design reflects a deliberate effort to modulate its biological and chemical properties. Scientists are particularly intrigued by:

  • The potential for pharmacological applications, especially in drug design, where altering substituents can lead to varying degrees of bioactivity.
  • Intermolecular interactions that can lead to unique solubility or stability profiles, which may be essential for specific applications in materials science or drug delivery.
  • The ability to explore structure-activity relationships (SAR) due to the complex arrangement of functional groups, which can influence how the compound interacts at the molecular level.

In summary, Ethyl 1-[3-oxo-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]-4-phenyl-piperidin-1-ium-4-carboxylate;chloride serves as a rich topic of study for those involved in organic synthesis and medicinal chemistry, merging artistry and science in the realm of compound design.

Synonyms
14120-84-4
Isonipecotic acid, 1-(3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yl)-3-oxopropyl)-4-phenyl-, ethyl ester, hydrobromide