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Dexamethonium

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Identification
Molecular formula
C28H54N2I2
CAS number
59-68-5
IUPAC name
[(3R,8R,10S,13S,17R)-3-[diethyl(methyl)ammonio]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-diethyl-methyl-ammonium;diiodide
State
State

At room temperature, dexamethonium iodide is typically in a solid state.

Melting point (Celsius)
300.00
Melting point (Kelvin)
573.15
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.15
General information
Molecular weight
618.47g/mol
Molar mass
618.4690g/mol
Density
1.2000g/cm3
Appearence

Dexamethonium iodide is a white to off-white crystalline powder. Its texture is typically fine, allowing it to dissolve relatively easily in water, resulting in a clear or slightly opalescent solution.

Comment on solubility

Solubility of [(3R,8R,10S,13S,17R)-3-[diethyl(methyl)ammonio]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-diethyl-methyl-ammonium;diiodide

The solubility characteristics of the compound with the formula C28H54N2I2 can be quite intriguing given its complex nature. To better understand its solubility, let’s consider several key factors:

  • Polarity: The presence of diethyl(methyl)ammonio groups suggests that the compound has polar characteristics which can influence its solubility in water.
  • Ionic Nature: As a diiodide, the presence of iodide ions indicates that the compound may be soluble in polar solvents, enhancing solvation due to ionic interactions.
  • Hydrophobic Interactions: The large hydrophobic hydrocarbon structure derived from the cyclopenta[a]phenanthrene moiety may lead to limited solubility in non-polar solvents.

In general, solubility is often a balance between polar and non-polar interactions. As a result, the solubility of this compound is likely to exhibit the following behaviors:

  1. It may be soluble in polar solvents, such as water or methanol, due to the ionic nature of the ammonium group.
  2. Conversely, it is expected to have lower solubility in hydrocarbons or oils, where the hydrophobic character dominates.
  3. The temperature and pH of the solvent may also significantly affect its solubility profile, potentially leading to enhanced solubility in warmer conditions.

Overall, the unique structure and functional groups of this compound suggest a nuanced solubility behavior that warrants further investigation in various solvents to fully elucidate its practical applications in chemical processes.

Interesting facts

Interesting Facts about [(3R,8R,10S,13S,17R)-3-[diethyl(methyl)ammonio]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-diethyl-methyl-ammonium;diiodide

This compound is a fascinating example of how complex organic molecules can be synthesized and utilized in various fields, including medicinal chemistry and pharmacology. Here are some notable highlights:

  • Structural Complexity: The compound features a multi-ring structure that plays a critical role in its biological activity. The presence of stereocenters contributes to its three-dimensional shape, affecting how it interacts with biological systems.
  • Quaternary Ammonium Salts: Being a diethyl-methyl-ammonium compound, it belongs to the class of quaternary ammonium salts, which are known for their applications as surfactants, antimicrobial agents, and phase transfer catalysts.
  • Iodide Ion Inclusion: The diiodide part of the compound often plays a significant role in its stability and solubility, making it an intriguing subject for further study, particularly in the field of pharmaceuticals.
  • Bioactivity Potential: Compounds with similar structures have been shown to exhibit various bioactivities, including antitumor and antimicrobial effects. This raises interesting possibilities for drug development.
  • Stereochemistry: The specified stereochemistry (3R, 8R, 10S, etc.) suggests that even slight variations in configuration can lead to significantly different biological interactions, making this compound a compelling subject for stereoisomerism studies.

As a summary, the study of such compounds provides insight not only into their chemical properties but also into potential applications in drug design and therapeutic interventions. By investigating the interactions of this compound with biological systems, scientists can pave the way for innovative treatment strategies.

Synonyms
66-50-2
AMMONIUM, (5-alpha-ANDROSTAN-3-alpha,17-alpha-YLENE)BIS(DIETHYLMETHYL-, DIIODIDE
DTXSID60984473
3-alpha,17-alpha-Bisdiethylamino-5-alpha-androstane di(methiodide)
(5-alpha-Androstane-3-alpha,17-alpha-diyl)bis(diethylmethylammonium iodide)
3alpha,17alpha-Bisdiethylamino-5alpha-androstane di(methiodide)
N~3~,N~3~,N~17~,N~17~-Tetraethyl-N~3~,N~17~-dimethylandrostane-3,17-bis(aminium) diiodide