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Iodixanol

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Identification
Molecular formula
C35H44I6N6O15
CAS number
92339-11-2
IUPAC name
3-[[9-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-9-oxo-nonanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
State
State

Iodixanol, at room temperature, is typically a solid.

Melting point (Celsius)
176.50
Melting point (Kelvin)
449.65
Boiling point (Celsius)
391.85
Boiling point (Kelvin)
665.00
General information
Molecular weight
1551.00g/mol
Molar mass
1 550.9960g/mol
Density
2.2000g/cm3
Appearence

Iodixanol is an off-white to pale yellow solid. It is usually available in a crystalline powder form and can dissolve in various solvents to create clear solutions. Iodixanol itself is a non-ionic, water-soluble, iodinated radiographic contrast medium.

Comment on solubility

Solubility of 3-[[9-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-9-oxo-nonanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid

The solubility of this complex chemical compound is an intriguing aspect that depends on a variety of factors, given its unique structure and substituents. Here are some key points to consider regarding its solubility:

  • Polarity: The presence of multiple iodo groups and carboxylic acid functionalities likely enhances polarity, which can promote solubility in polar solvents such as water.
  • Hydrogen Bonding: The carboxylic acid group may provide sites for hydrogen bonding, further enabling interactions with water molecules and increasing solubility in aqueous solutions.
  • Effect of the Pyrrolidine Unit: The 2-oxopyrrolidin-1-yl moieties may impart additional solubility characteristics and could enhance compatibility with various solvents.

Generally, compounds with significant ionic or polar characteristics tend to display better solubility in water, while those with large hydrophobic regions struggle to dissolve. Therefore, the presence of both hydrophilic (like carboxylic acid) and hydrophobic groups in this compound suggests that it may exhibit a unique solubility profile.

Furthermore, the solubility can be highly influenced by:

  • pH of the Solution: Changes in pH can protonate or deprotonate the carboxylic acid, affecting solubility.
  • Concentration: At various concentrations, solubility might exhibit different behavior, potentially leading to precipitation at higher concentrations.

In conclusion, while one can postulate about its solubility, real experimental data is essential to definitively assess solubility in various solvents, considering the complexity of such a compound.

Interesting facts

Interesting Facts about 3-[[9-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-9-oxo-nonanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid

This complex compound is at the intersection of medicinal chemistry and advanced imaging techniques, primarily due to its unique structure and functional properties. Here are some intriguing insights:

  • Molecular Complexity: The compound features multiple functional groups, including carboxylic acids and amino groups, which enhance its solubility in biological systems.
  • Triiodo Substitution: The presence of three iodine atoms is notable. Iodine is often used in radiological applications—this could suggest potential uses in medical imaging or therapy.
  • Oxopyrrolidine Component: The inclusion of a pyrrolidine ring implies a significant steric hindrance and can introduce interesting conformational properties, relevant to its biological activity.
  • Biological Implications: Given its structural features, this compound may interact with important biological targets, possibly serving as a therapeutic agent or a molecular probe in various biological assays.
  • Synthesis Potential: The intricate assembly of this compound suggests a diverse synthetic pathway, potentially allowing chemists to explore various derivatives that could be optimized for increased efficacy or specificity.

In conclusion, the exploration of this compound reveals its potential within pharmaceutical chemistry and biomedical research. Its multifaceted design not only highlights the creativity involved in synthetic chemistry but also underlines the importance of molecular structure in determining biological function and interaction.

Synonyms
Benzoic acid, 3,3'-(azelaoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-
26090-50-6
BRN 1523590
3,3'-(Azelaoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodobenzoic acid)
DTXSID70180722