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Dantrolene

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Identification
Molecular formula
C14H10N4O5
CAS number
7261-97-4
IUPAC name
(2-benzoyloxy-2-cyano-cyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium
State
State

At room temperature, Dantrolene is typically in a solid state.

Melting point (Celsius)
253.00
Melting point (Kelvin)
526.00
Boiling point (Celsius)
320.00
Boiling point (Kelvin)
593.00
General information
Molecular weight
314.19g/mol
Molar mass
314.1910g/mol
Density
1.2843g/cm3
Appearence

Dantrolene is typically found as a yellow to orange crystalline powder.

Comment on solubility

Solubility of (2-benzoyloxy-2-cyano-cyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium

The solubility of the compound (2-benzoyloxy-2-cyano-cyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium presents interesting characteristics due to its complex structure. Factors influencing its solubility include:

  • Ionization: The presence of quaternary ammonium groups in the compound suggests a propensity for high solubility in polar solvents, particularly water.
  • Hydrophilicity vs. Hydrophobicity: The benzoyloxy and cyano functional groups may introduce both hydrophobic and hydrophilic characteristics, resulting in variable solubility depending on the solvent used.
  • Temperature Dependence: Solubility can be affected by temperature, with higher temperatures often enhancing solubility for many ionic compounds.

In general, such complex compounds tend to exhibit limited solubility in nonpolar solvents, which limits their use in applications requiring nonpolar environments. More specifically:

  • Water Solubility: Likely good, owing to the ionic nature and presence of charged groups.
  • Organic Solvent Solubility: May be more limited, depending on the specific interactions with the solvent.

In conclusion, while definitive solubility data should be obtained experimentally, the structural features indicated suggest a capability for solubility in aqueous environments, with potential challenges in nonpolar solvents. This duality in solubility behavior is crucial for applications in pharmaceutical formulations and chemical processes.

Interesting facts

Interesting Facts about (2-benzoyloxy-2-cyano-cyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium

The compound (2-benzoyloxy-2-cyano-cyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium is a fascinating molecule representing the intersection of organic chemistry and medicinal applications. Below are several compelling points of interest regarding this compound:

  • Complex Structure: This compound consists of multiple functional groups, including benzoyloxy, cyano, and dimethylammonium moieties, making it an example of a complex organic structure that could potentially exhibit unique pharmacological properties.
  • Potential Applications: Given its intricate arrangement, this compound could have potential applications in drug design, particularly in targeted therapies that require specificity – enhancing bioavailability and minimizing side effects.
  • Mechanistic Insights: The presence of the cyano group may influence the electron density and overall reactivity of the molecule, allowing chemists to predict possible interactions with biological targets.
  • Research Opportunities: The compound presents numerous avenues for research, such as evaluating its efficacy in various biological systems and determining its mechanism of action through detailed studies.
  • Structure-Activity Relationship (SAR): The significance of the compound lies in its potential to provide insights into structure-activity relationships, particularly relevant in the design of new medicinal compounds.

In conclusion, the intriguing nature of (2-benzoyloxy-2-cyano-cyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxy-2-cyano-cyclohexyl)methyl-dimethyl-ammonio]acetyl]phenyl]-2-oxo-ethyl]-dimethyl-ammonium not only highlights the complexities of chemical synthesis but also enhances our understanding of how specific molecular features can influence biological activity. As researchers delve deeper into its properties, the potential for groundbreaking discoveries remains vast.