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Iodixanol

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Identification
Molecular formula
C35H44I6N6O15
CAS number
92339-11-2
IUPAC name
3-carbamoyl-5-[[6-(3-carbamoyl-5-carboxy-2,4,6-triiodo-anilino)-6-oxo-hexanoyl]amino]-2,4,6-triiodo-benzoic acid
State
State

At room temperature, Iodixanol is typically a solid. It is stable under normal conditions and is often handled as a powder or a crystalline solid. While in powder form, it is often used in laboratory settings and can be reconstituted into solutions for medical use. In its medicinal formulation, it is commonly dissolved in water to create a contrast agent for radiographic imaging.

Melting point (Celsius)
175.00
Melting point (Kelvin)
448.15
Boiling point (Celsius)
600.00
Boiling point (Kelvin)
873.15
General information
Molecular weight
1550.20g/mol
Molar mass
1 550.1980g/mol
Density
2.0100g/cm3
Appearence

Iodixanol is a white to off-white powdery substance. It is often visually characterized by its pale, crystalline form when in a pure state, although it can also appear amorphous. In solution, it may appear clear or light yellow, depending on the concentration and solvent used.

Comment on solubility

Solubility of 3-carbamoyl-5-[[6-(3-carbamoyl-5-carboxy-2,4,6-triiodo-anilino)-6-oxo-hexanoyl]amino]-2,4,6-triiodo-benzoic acid

This compound, a complex organic molecule, exhibits unique solubility characteristics that are influenced by its structure and functional groups. The presence of multiple carboxylic acid (-COOH) and carbamoyl (-CONH2) groups tends to enhance its solubility in polar solvents. Here are some key points regarding its solubility:

  • Polarity: The compound is expected to be polar due to the numerous electronegative elements (such as iodine and nitrogen) which can lead to strong intermolecular interactions with polar solvents like water.
  • Hydrogen Bonding: The carboxylic acid and amine functionalities can form hydrogen bonds, further increasing solubility in aqueous environments.
  • Effect of Iodine Atoms: The presence of iodine atoms may introduce some steric hindrance, potentially affecting how easily the compound can dissolve compared to non-halogenated analogues.
  • Solvent Compatibility: While it may be soluble in water, its solubility might vary in organic solvents due to the dichotomy of polar and non-polar regions within the molecule.

In summary, while the multiple polar functional groups suggest that the compound will have a reasonable solubility in water, factors such as steric hindrance and specific solvent interactions should be considered to provide a comprehensive understanding of its solubility profile.

Interesting facts

Interesting Facts about 3-Carbamoyl-5-[[6-(3-Carbamoyl-5-Carboxy-2,4,6-Triiodo-Anilino)-6-Oxo-Hexanoyl]Amino]-2,4,6-Triiodo-Benzoic Acid

This compound is a fascinating example in the realm of medicinal chemistry, primarily due to its unique structure and potential applications in pharmaceuticals. Below are some noteworthy aspects of this compound:

  • Complex Structure: The compound features multiple functional groups, including amides and carboxylic acids. This complexity allows for interesting interactions with biological targets.
  • Triiodo Groups: The presence of triiodo substituents introduces significant iodine content, which can enhance the radiographic properties, making it promising for use in imaging techniques.
  • Biological Activity: Compounds of this nature are often studied for their anti-cancer properties. The detailed structure may suggest that they can interact with various enzymes or receptors in the body.
  • Synthetic Pathways: The synthesis of this compound involves a series of intricate reactions that can challenge even experienced chemists, showcasing the creative aspects of organic synthesis.

As noted by various researchers, breakthroughs in this area "could lead to innovative treatments in oncology." This highlights the importance of further research and exploration into compounds with such sophisticated designs.

In summary, 3-carbamoyl-5-[[6-(3-carbamoyl-5-carboxy-2,4,6-triiodo-anilino)-6-oxo-hexanoyl]amino]-2,4,6-triiodo-benzoic acid serves as an excellent model for studying the intersection of chemistry and medicine, demonstrating how structural intricacies can pave pathways to significant advances in healthcare.

Synonyms
13724-24-8
BRN 2933253
ISOPHTHALAMIC ACID, 5,5'-(TETRAMETHYLENEBIS(CARBONYLIMINO))BIS(2,4,6-TRIIODO-
DTXSID70160120
5,5'-(Tetramethylenebis(carbonylimino))bis(2,4,6-triiodoisophthalamic acid)
DTXCID9082611
3-carbamoyl-5-[[6-(3-carbamoyl-5-carboxy-2,4,6-triiodoanilino)-6-oxohexanoyl]amino]-2,4,6-triiodobenzoic acid