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Quaternary ammonium compound (Possible steroid related)

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Identification
Molecular formula
C19H34N2Cl2
CAS number
Unspecified
IUPAC name
[(3S,8R,9S,10R,13S,14S,17S)-17-azaniumyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-methyl-ammonium;dichloride
State
State

Solid at room temperature; typically delivered as white crystals or powder.

Melting point (Celsius)
250.00
Melting point (Kelvin)
523.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
273.15
General information
Molecular weight
338.95g/mol
Molar mass
338.9460g/mol
Density
1.1000g/cm3
Appearence

The compound in its pure form is typically a white crystalline solid. It may appear as a powder or in crystalline form, often dependent on the specific hydration state and purity.

Comment on solubility

Solubility Insights

The compound [(3S,8R,9S,10R,13S,14S,17S)-17-azaniumyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-methyl-ammonium;dichloride exhibits intriguing solubility characteristics due to its complex molecular structure. Here are some key points to consider:

  • Amphiphilic Nature: The presence of both hydrophilic (water-attracting) and hydrophobic (water-repelling) regions in the molecule suggests potential solubility in polar solvents.
  • Salt Formation: As a dichloride salt, it might show enhanced solubility in water compared to its neutral counterpart, making it more bioavailable in aqueous environments.
  • Hydrogen Bonding: The nitrogen atoms in the ammonium group are likely to participate in hydrogen bonding, which can further facilitate dissolution in polar solvents.

However, the specific solubility characteristics can vary based on factors such as temperature and the presence of other solutes. It is essential to consider the following:

  1. Temperature: Higher temperatures often increase solubility.
  2. Concentration: Increasing the concentration of the solvent can lead to a saturation point where no further dissolution occurs.
  3. pH Levels: The solubility of ammonium salts can be affected by the acidity or alkalinity of the solution.

In summary, while the compound holds potential for solubility in polar solvents, the precise solubility profile would ultimately depend on various environmental conditions. Understanding these dynamics is crucial for applications in various fields such as medicinal chemistry and pharmaceuticals.

Interesting facts

Interesting Facts about the Compound: [(3S,8R,9S,10R,13S,14S,17S)-17-azaniumyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]-methyl-ammonium; dichloride

This compound is an intriguing member of the ammonium salts, boasting a complex and fascinating structure. Here are some interesting insights:

  • Structural Complexity: The compound features multiple chiral centers, highlighted by its detailed stereochemistry notation (3S, 8R, etc.). This complexity affects its biological activity and interactions within living systems.
  • Biological Relevance: As a quaternary ammonium compound, it may exhibit fascinating properties in biological settings, including involvement in drug delivery and cellular interactions.
  • Industrial Applications: Compounds of this type are often explored for their potential use in pharmaceuticals, particularly in the fields of oncology and cardiovascular therapy.
  • Research Interest: The unique structural attributes present opportunities for researchers to study the mechanisms of action and effects of such compounds in medicinal chemistry.

Moreover, it’s important to note that the presence of the azaniumyl group represents a specific functional modification that can influence the compound's solubility and polarity, impacting its pharmacokinetic profile. As scientists continue to explore the vast world of complex organic compounds, items such as this one remind us of the interconnectedness of structural chemistry and biological activity. They often say, "The structure is the key to understanding function," emphasizing the importance of stereochemistry in potential therapeutic outcomes.


In summary, this compound stands as a testament to the delicate balance between structure and function in organic chemistry. Whether for academic exploration or practical application, it exemplifies the wonders that arise from the intricate world of molecular science.

Synonyms
19236-78-3
Chlorhydrate de methylamino-3-beta amino-17-beta androstene [French]
N(sup 3)-Methylandrost-5-ene-3-beta,17-beta-diamine dihydrochloride
ANDROST-5-ENE-3-beta,17-beta-DIAMINE, N(sup 3)-METHYL-, DIHYDROCHLORIDE
Chlorhydrate de methylamino-3-beta amino-17-beta androstene