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Iodixanol

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

At room temperature, Iodixanol exists as a solid. It is typically handled in powder form until it is dissolved in water for use in various applications, primarily as a contrast agent.

Melting point (Celsius)
210.00
Melting point (Kelvin)
483.15
Boiling point (Celsius)
570.00
Boiling point (Kelvin)
843.15
General information
Molecular weight
1550.23g/mol
Molar mass
1 550.2300g/mol
Density
1.6274g/cm3
Appearence

Iodixanol appears as a white, crystalline powder. It is highly soluble in water, forming a solution that is often used as a contrast agent for imaging techniques.

Comment on solubility

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

The solubility of this complex compound can be quite intricate due to its extensive molecular structure and functional groups. Understanding the solubility characteristics involves considering several key factors:

  • Polarity: The presence of carboxylic acid and various ether linkages suggests that the compound might exhibit polar characteristics, potentially enhancing solubility in polar solvents such as water.
  • Iodine Atoms: The triiodinated parts of the structure can introduce hydrophobicity, which might limit solubility in aqueous environments.
  • Cyclic Amides: The inclusion of the pyrrolidine moiety may influence solubility as cyclic amides can improve interaction with solvents.

However, it is essential to note that the solubility may vary based on the solvent system and environmental conditions. Secondary interactions such as hydrogen bonding, van der Waals forces, and steric hindrance can further complicate solubility behavior.

In summary, the solubility of this compound is likely to be:

  1. Partially soluble in water, influenced by its multiple polar groups.
  2. More soluble in organic solvents due to its hydrophobic elements.
  3. Highly dependent on environmental factors like pH and temperature.

Further empirical studies would be essential to conclusively determine the solubility profile of this compound, but it is clear that its solubility attributes are nuanced, making it an interesting subject of study.

Interesting facts

Exploring 3-Carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino Derivatives

The compound 3-[3-[3-[3-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-3-oxo-propoxy]propoxy]propanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid is a fascinating example of chemical complexity that marries various functional groups with iodine substitution. Here are some intriguing aspects of this compound:

  • Iodine Substitution: The presence of iodine atoms significantly affects the compound's properties, increasing its solubility in organic solvents and enhancing its biological activities. Iodinated compounds are often used in medical imaging, particularly in contrast agents for X-ray and CT scans.
  • Pyrrolidine Moieties: The incorporation of 2-oxopyrrolidin-1-yl groups suggests potential for interactions with biological systems. These groups could influence the compound's ability to cross cell membranes, which is vital for pharmaceutical applications.
  • Multi-functional Design: This compound features multiple functional groups including carboxylic acids and anilino derivatives. Such multi-functionality opens avenues for its use in drug development, particularly as a targeting moiety in cancer therapy.
  • Complexity and Structure: The compound's elaborate structure exhibits a rich stereochemistry, which may impart unique pharmacological properties. Understanding this complexity is crucial for fields like medicinal chemistry.

As researchers delve into the properties of this compound, questioning its interactions, synthesis pathways, and potential applications, they are reminded of the *intricate balance between structure and function* in chemical compounds. Exploring such detailed compounds can lead to breakthroughs in drug design, targeting strategies, and understanding disease mechanisms.

In the words of renowned chemist Linus Pauling, "The best way to have a good idea is to have lots of ideas." compounds like this serve as excellent candidates for innovation in pharmaceutical sciences and beyond.

Synonyms
26090-57-3
Benzoic acid, 3,3'-(trimethylenebis(oxyethylenecarbonylimino))bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-
DTXSID10180726
RefChem:326969
DTXCID50103217