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Iohexol

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Identification
Molecular formula
C19H26I3N3O9
CAS number
66108-95-0
IUPAC name
3-acetamido-5-[acetyl(methyl)amino]-N-(1-formyl-2,3,4,5-tetrahydroxy-pentyl)-2,4,6-triiodo-benzamide
State
State

At room temperature, Iohexol is usually found in a solid crystalline state, suitable for compounding into solution form for medical applications.

Melting point (Celsius)
178.00
Melting point (Kelvin)
451.15
Boiling point (Celsius)
208.00
Boiling point (Kelvin)
481.15
General information
Molecular weight
821.14g/mol
Molar mass
821.1400g/mol
Density
1.4330g/cm3
Appearence

Iohexol is typically a white to off-white crystalline powder. When formulated as a solution for injection, it is a clear, colorless to pale yellow liquid.

Comment on solubility

Solubility of 3-acetamido-5-[acetyl(methyl)amino]-N-(1-formyl-2,3,4,5-tetrahydroxy-pentyl)-2,4,6-triiodo-benzamide

The solubility of the compound C19H26I3N3O9 can be influenced by several factors due to its complex molecular structure. This compound comprises various functional groups, including amides and hydroxyls, which can greatly affect its solubility characteristics.

Factors Influencing Solubility:

  • Polarity: The presence of multiple hydroxyl groups increases polarity, often enhancing solubility in polar solvents such as water.
  • Hydrogen Bonding: The capability to form hydrogen bonds, especially with water molecules, can result in higher solubility.
  • Large Iodine Atoms: The tri-iodo substitution can introduce hydrophobic character, potentially limiting solubility in non-polar solvents.
  • Chain Length: The pentyl chain may provide moderate lipophilicity, complicating solubility profiles in mixed solvent systems.

In general, compounds that contain a mix of polar and non-polar functional groups can exhibit various solubility behaviors. As stated, "the interplay between hydrophilicity and hydrophobicity is crucial." Therefore, the solubility of this specific compound may be optimal in a solvent that can balance both properties, perhaps in a polar-organic solvent mixture. Careful experimental determination is advisable to ascertain its precise solubility characteristics.

Interesting facts

Exploring 3-acetamido-5-[acetyl(methyl)amino]-N-(1-formyl-2,3,4,5-tetrahydroxy-pentyl)-2,4,6-triiodo-benzamide

This fascinating compound combines elements from both medicinal chemistry and material science, showcasing a rich tapestry of functional groups that suggest diverse potential applications. Here are some interesting aspects of this compound:

  • Structural Diversity: The presence of multiple functional groups, including amides, acetyls, and hydroxyls, contributes to its chemical versatility. This structural complexity can lead to varied interactions with biological systems.
  • Therapeutic Potential: Compounds featuring iodine, such as this one, are often explored for their use in imaging technologies and radiotherapy, particularly in the field of oncology. The tri-iodo substitution may enhance its utility in diagnostic imaging.
  • Synthetic Pathways: The synthesis of such complex molecules typically involves advanced organic synthetic techniques, including multi-step reactions and protection-deprotection strategies, that require precision and expertise.
  • Research Significance: Modifications to the benzamide core can lead to variations in biological activity, making this compound a candidate for studying structure-activity relationships (SAR) in pharmaceuticals.
  • Safety Considerations: Compounds with iodine can be associated with certain handling precautions due to potential toxicity; thus, understanding the safety profile is crucial for researchers.

In summary, 3-acetamido-5-[acetyl(methyl)amino]-N-(1-formyl-2,3,4,5-tetrahydroxy-pentyl)-2,4,6-triiodo-benzamide serves as a reminder of the intricate balance between structure and function in chemical compounds, emphasizing the importance of multidisciplinary approaches in chemical research.

Synonyms
SCHEMBL20840415
AKOS024370826