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Lofexidine hydrochloride

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Identification
Molecular formula
C26H39N2O4
CAS number
74550-12-2
IUPAC name
[2-(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)-1-phenyl-ethyl]-diethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate
State
State

At room temperature, the compound is typically found in a solid state. It can be a fine powder or crystalline solid, which is common for many pharmaceutical compounds designed for stability and ease of formulation into tablets or capsules.

Melting point (Celsius)
153.15
Melting point (Kelvin)
426.30
Boiling point (Celsius)
383.15
Boiling point (Kelvin)
656.30
General information
Molecular weight
554.67g/mol
Molar mass
554.6720g/mol
Density
1.2131g/cm3
Appearence

The compound typically appears as an off-white to tan powder, which is characteristic of many solid organic compounds. It may also present as a crystalline solid depending on the specific form or impurities present in the sample.

Comment on solubility

Solubility Characteristics

The solubility of the compound [2-(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)-1-phenyl-ethyl]-diethyl-ammonium;4-hydroxy-4-oxo-but-2-enoate can be influenced by a variety of factors.

Key Factors Affecting Solubility:

  • Polarity: The presence of charged elements within the structure can enhance its solubility in polar solvents, such as water.
  • Hydrogen Bonding: Functional groups that can form hydrogen bonds may significantly increase solubility, especially in protic solvents.
  • Temperature: Higher temperatures generally increase solubility, particularly for solid compounds dissolving in liquids.

It's essential to note that despite the potential for good solubility, the presence of the ethoxycarbonyl and piperidinium moieties suggests that solubility may vary depending on the solvent used. Common trends include:

  1. High solubility in water: Due to the ionic nature conferred by the ammonium structure.
  2. Variable solubility in organic solvents: Non-polar solvents may yield lower solubility, while polar aprotic solvents can enhance solubility.

As with many chemical compounds, understanding the solubility profile is crucial for its practical application in various fields, including pharmaceuticals and materials science. For precise applications, conducting solubility tests in relevant solvents is recommended.

Interesting facts

Interesting Facts about [2-(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)-1-phenyl-ethyl]-diethyl-ammonium; 4-hydroxy-4-oxo-but-2-enoate

This complex compound showcases the fascinating realm of organic chemistry, combining intricate structural features with potential applications in various fields. Here are some noteworthy insights:

  • Unique Structural Composition: This compound contains a piperidinium moiety, offering intriguing pharmacological properties due to its potential interactions with biological targets.
  • Diverse Functional Groups: The presence of both ethoxycarbonyl and hydroxyl functionalities suggests versatile chemical reactivity, which may lead to innovative synthetic pathways.
  • Potential Applications: With its unique structure, this compound may find applications in medicinal chemistry and pharmaceutical formulation, possibly playing a role in drug development.
  • Chirality and Stereochemistry: The presence of chiral centers in its structure allows for stereoisomerism, which is crucial in the development of pharmaceuticals, as different enantiomers can have vastly different biological effects.
  • Environmental Impact: Compounds of this nature can also be studied for their environmental chemistry implications, particularly concerning their degradation pathways and impact on ecosystems.

In summary, the [2-(4-ethoxycarbonyl-4-phenyl-piperidin-1-ium-1-yl)-1-phenyl-ethyl]-diethyl-ammonium; 4-hydroxy-4-oxo-but-2-enoate compound exemplifies the intricate architecture of organic molecules and their broad potential in science. As we explore the properties, stability, and applications of such compounds, we push the boundaries of chemistry and innovation.