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Drotaverine

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Identification
Molecular formula
C24H31NO4
CAS number
14009-24-6
IUPAC name
2-(5,6-dihydrobenzo[b][1]benzoxepin-5-yloxy)ethyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate
State
State

Drotaverine is a solid at room temperature.

Melting point (Celsius)
210.00
Melting point (Kelvin)
483.00
Boiling point (Celsius)
750.10
Boiling point (Kelvin)
1 023.10
General information
Molecular weight
397.52g/mol
Molar mass
397.4870g/mol
Density
1.2642g/cm3
Appearence

Drotaverine typically appears as a yellow crystalline powder. It is somewhat soluble in water and freely soluble in chloroform and methanol.

Comment on solubility

Solubility Overview

The compound 2-(5,6-dihydrobenzo[b][1]benzoxepin-5-yloxy)ethyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate exhibits interesting solubility characteristics that are worth examining.

Solubility Factors

Several factors influence the solubility of this compound:

  • Polarity: The presence of the dimethyl-ammonium group suggests that the compound may have ionic characteristics, potentially increasing its solubility in polar solvents such as water.
  • Functional Groups: The 4-hydroxy-4-oxo-but-2-enoate moiety adds acidic properties, which can enhance solubility through hydrogen bonding in aqueous environments.
  • Hydrophobic Regions: The dihydrobenzo[b][1]benzoxepin component introduces hydrophobic characteristics, which may reduce solubility in polar solvents.

Expected Solubility Behavior

Due to the balance of polar and non-polar characteristics:

  • The compound is likely to have moderate solubility in water but may exhibit better solubility in organic solvents such as ethanol or methanol.
  • It may require specific conditions (e.g., temperature, pH) to achieve optimal solubility.
  • Functional modifications or incorporating cosolvents could enhance its solubility in desired applications.

In conclusion, while the complex structure of 2-(5,6-dihydrobenzo[b][1]benzoxepin-5-yloxy)ethyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate indicates potential challenges regarding solubility, the interplay of polar and hydrophobic elements provides a fascinating area for further study in solubility optimization.

Interesting facts

Interesting Facts About 2-(5,6-dihydrobenzo[b][1]benzoxepin-5-yloxy)ethyl-dimethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate

This compound, notable for its complex structure, merges the intriguing functionalities of a benzoxepin with a dimethylammonium moiety, highlighting its potential versatility in various applications. Here are some engaging aspects of this fascinating compound:

  • Bioactive Potential: Due to its unique structure, this compound could exhibit significant bioactivity, potentially serving as a lead compound in pharmaceutical research and development.
  • Mechanistic Insights: The presence of the dimethylammonium group suggests that it may interact with biological systems in ways similar to quaternary ammonium compounds, pointing towards possible roles in ion transport or as enzyme inhibitors.
  • Structural Diversity: The bicyclic aromatic system in the compound allows for extensive structural variation, making it an interesting candidate for the design of new materials or molecular probes.
  • Research Applications: Its structural characteristics may make it a valuable subject for studies investigating pharmacokinetics and pharmacodynamics, which are crucial for the development of effective therapeutics.
  • Future Directions: As researchers continue to explore synthetic pathways and modification strategies, this compound could pave the way for innovations in organic chemistry and material science.

Scientists are often fascinated by how such complex structures can lead to unique properties, prompting further investigations into their applications. As one chemist put it, "The beauty of chemistry lies in its ability to transform the simplest elements into compounds that can have profound impacts on health and technology."

In conclusion, the study of this compound not only contributes to the understanding of organic structures but also holds promise for advancements in medicinal chemistry and beyond.