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Iodixanol

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

Iodixanol is typically in solid form at room temperature but is often formulated into solutions for medical imaging purposes. These solutions are usually isotonic with blood and have a higher viscosity than water.

Melting point (Celsius)
247.00
Melting point (Kelvin)
520.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
273.15
General information
Molecular weight
1550.22g/mol
Molar mass
1 550.2190g/mol
Density
1.6200g/cm3
Appearence

Iodixanol usually appears as a white or slightly off-white crystalline powder. It may also be available as a colorless or slightly yellow solution when in its injectable form. The compound is known for its high radiopacity, which is utilized in imaging applications.

Comment on solubility

Solubility Characteristics

The solubility of the compound 3-[3-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-3-oxo-propoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid can be analyzed through several factors:

  • Polarity: Given the presence of numerous functional groups, including carboxylic acids and ether linkages, the compound is likely to exhibit significant polar characteristics.
  • Iodine Substituents: The inclusion of three iodine atoms could influence solubility in both polar and non-polar solvents, potentially enhancing its solubility in organic solvents.
  • Hydrogen Bonding: The capacity for the compound to participate in hydrogen bonding through its carboxyl group can lead to increased solubility in water, particularly if the structure allows for inter- or intramolecular interactions.
  • Molecular Size: The large molecular size may hinder solubility to some extent due to steric effects, especially in polar solvents.

In terms of practical solubility, it is important to note:

  • The solubility may vary significantly with pH, reflecting the acidic and basic properties of the carboxylic acid component.
  • As a complex organic compound, it may require specific solvents or conditions to maximize dissolution.
  • Empirical testing is suggested to best determine solubility in various solvents, as predictions based on structure alone may not always coincide with actual behavior.

Overall, understanding the solubility of such a complex compound necessitates a multi-faceted approach, taking into account structural features, environmental conditions, and chemical interactions.

Interesting facts

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

This compound is a fascinating example of a complex organic molecule that showcases the intersection of medicinal chemistry and biochemical applications. It belongs to a class of compounds that holds promise for various therapeutic applications, particularly in the field of imaging and targeted therapy in oncology.

Key Highlights

  • Structural Complexity: The molecule features multiple *iodine* atoms that are incorporated into its structure, enhancing its radioactivity. This characteristic makes it suitable for *radioimaging techniques*, such as single-photon emission computed tomography (SPECT).
  • Functionality: The presence of the *carboxylic acid* group provides an active site for further chemical modifications, allowing for potential derivatives that can exhibit different pharmacological properties.
  • Synthetic Challenges: The synthesis of such a multi-substituted compound may pose significant challenges due to the multiple functional groups and the need for selective reactions, making it an interesting subject for organic chemists.
  • Biological Relevance: Research into similar compounds has shown potential roles in *targeted drug delivery systems*, which can enhance the efficacy of cancer treatments while minimizing side effects.

In summary, this compound's intricate structure and potential applications in medicine make it an exciting topic of study for chemists. As we explore molecules like this, we gain insights not only into their individual traits but also into their implications for developing innovative therapeutic strategies.

Synonyms
Benzoic acid, 3,3'-(ethylenebis(oxyethylenecarbonylimino))bis(5-(2-oxo-1-pyrrolidinylmethyl)-2,4,6-triiodo-
26090-54-0
BRN 1523603
DTXSID50180725