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Iodixanol

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Identification
Molecular formula
C35H44I6N6O15
CAS number
92339-11-2
IUPAC name
3-[[7-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-7-oxo-heptanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid;ethane
State
State

At room temperature, iodixanol is typically in a solid state. It is later dissolved in aqueous solutions to be used as a contrast agent in radiographic procedures.

Melting point (Celsius)
230.00
Melting point (Kelvin)
503.00
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.00
General information
Molecular weight
1550.14g/mol
Molar mass
1 550.1350g/mol
Density
2.2320g/cm3
Appearence

Iodixanol is typically a white or slightly off-white solid. It is often handled as a powder or solid substance when pure. In commercial and industrial settings, it might be found in solution, particularly when used as a contrast agent in medical imaging, where it is dissolved in water to form a clear, colorless solution.

Comment on solubility

Solubility of 3-[[7-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-7-oxo-heptanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid;ethane

When evaluating the solubility of this complex compound, several key factors come into play:

  • Polarity: The presence of multiple functional groups, including carboxylic acids and amine groups, suggests potential for polarity, which may enhance solubility in polar solvents.
  • Nonpolar Characteristics: The ethane component indicates that there may be significant nonpolar characteristics, potentially leading to limited solubility in polar solvents.
  • Hydrogen Bonding: The ability to form hydrogen bonds due to the carboxylic acid and amines may improve solubility in water.
  • Conformational Flexibility: The presence of pyrrolidine may also influence solubility through conformational changes that affect how the molecule interacts with solvents.

In essence, the solubility of this compound can be described as potentially variable, depending on the solvent used. For instance:

  • In polar solvents such as water, solubility is expected to be moderate due to competing interactions from polar groups.
  • In nonpolar solvents such as hexane, solubility might be low due to the hydrophobic nature of the ethane component.

As we consider practical applications and the compound's behavior in various environments, it becomes clear that solubility is highly context-dependent. Verification through solubility tests in specific solvents is recommended for accurate assessment.

Interesting facts

Interesting Facts about 3-[[7-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-7-oxo-heptanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid;ethane

This complex compound, with its impressive molecular architecture, presents a fascinating study in the intersection of medicinal chemistry and structural design. Below are some noteworthy aspects:

  • Iodine Content: The presence of multiple iodine atoms in the compound suggests potential applications in nuclear medicine, particularly in diagnostic imaging techniques such as SPECT (Single Photon Emission Computed Tomography).
  • Carboxylic Acid Functionality: The carboxy group (-COOH) in the structure may enhance the compound's solubility and reactivity, making it an interesting candidate for further chemical modifications.
  • Pyrrolidinyl Group: The inclusion of pyrrolidin-1-yl moieties can suggest a role in biological activity, possibly enhancing binding interactions with biological targets, making it a candidate for drug development.
  • Heptanoyl Linkage: The heptanoyl chain may contribute to the overall hydrophobicity of the molecule, influencing its bioavailability and interactions within physiological environments.
  • Potential Therapeutic Applications: Given its complexity, this compound may have potential therapeutic uses in areas such as oncology or antimicrobial treatment, where iodinated compounds have been particularly promising.

This compound exemplifies how intricate chemical structures can lead to significant advances in drug design and understanding biological systems. The combination of structural features makes it unique and worth exploring in a laboratory setting for its multifaceted properties.