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Daclatasvir

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Identification
Molecular formula
C40H50N8O6
CAS number
1009119-65-6
IUPAC name
carbamimidoyl-[N'-[4-(dibutylcarbamoyl)phenyl]carbamimidoyl]ammonium;chloride
State
State

At room temperature, Daclatasvir is in a solid state.

Melting point (Celsius)
272.00
Melting point (Kelvin)
545.00
Boiling point (Celsius)
453.00
Boiling point (Kelvin)
726.00
General information
Molecular weight
738.31g/mol
Molar mass
738.3110g/mol
Density
1.2300g/cm3
Appearence

Daclatasvir hydrochloride appears as a solid powder. It is typically white to off-white in color.

Comment on solubility

Solubility of Carbamimidoyl-[N'-[4-(dibutylcarbamoyl)phenyl]carbamimidoyl]ammonium Chloride

The solubility of this compound, carbamimidoyl-[N'-[4-(dibutylcarbamoyl)phenyl]carbamimidoyl]ammonium chloride, can be quite complex due to its intricate structure and functional groups. Here are some key aspects to consider:

  • Polarity: The presence of charged ammonium groups can significantly enhance the solubility in polar solvents, such as water. However, the bulky dibutyl groups may hinder complete solvation.
  • Solvent Interaction: This compound may dissolve better in organic solvents that can accommodate its hydrophobic segments, potentially leading to a preferential solubility in solvents such as ethanol or dioxane.
  • Temperature Dependence: Increased temperature could modify the solubility properties, possibly enhancing solubility due to increased kinetic energy facilitating interactions with the solvent.
  • Salt Formation: As a chloride salt, its solubility may be impacted by the presence of ions in solution, which can influence the dissolution dynamics.

In summary, while the solubility characteristics of this compound can fluctuate based on various factors, understanding these parameters is crucial for its application in chemical processes. It might be described as having “moderate solubility” in certain solvents, but precise solubility data would require further empirical investigation.

Interesting facts

Interesting Facts about Carbamimidoyl-[N'-[4-(dibutylcarbamoyl)phenyl]carbamimidoyl]ammonium; Chloride

This intriguing compound is an example of an organic salt, showcasing fascinating properties and structural characteristics. It is notable for its synthetic versatility and its applications in various fields of chemistry.

Key Features

  • Structural Complexity: This compound features a multi-functional structure that includes both carbamimidoyl and dibutylcarbamoyl groups, providing a unique chemistry platform.
  • Applications: It has potential uses in medicinal chemistry, particularly in the design of novel pharmaceuticals, where its unique functional groups can interact with biological systems.
  • Ion Pairing: As an ammonium salt, it demonstrates interesting ion pairing behavior, which can influence its reactivity and solubility in different solvents.
  • Research Interest: The synthesis and characterization of such compounds are often of interest in studies focused on developing more efficient chemical processes or materials.

Fun Fact

Carbamimidoyl derivatives have been researched for their potential role in inhibiting certain enzymes, making them promising candidates in drug discovery. As one researcher stated, "The versatility of amide-containing compounds in medicinal chemistry offers a window into innovative therapeutic development."

Overall, this compound underscores the significance of functional group diversity in the realm of organic chemistry, highlighting how small changes in structure can lead to vastly different chemical behaviors and applications.

Synonyms
BENZAMIDE, p-(3-AMIDINOGUANIDINO)-N,N-DIBUTYL-, MONOHYDROCHLORIDE
p-(3-Amidinoguanidino)-N,N-dibutylbenzamide monohydrochloride
4838-54-4
Biguanide, 1-(p-N,N-dibutylcarbamoylphenyl)-, hydrochloride
DTXSID80197503
DTXCID50119994