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Iodixanol

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

At room temperature, iodixanol is a solid compound, typically in a crystalline form. It is frequently made into a solution for use as a medical imaging contrast agent.

Melting point (Celsius)
276.00
Melting point (Kelvin)
549.15
Boiling point (Celsius)
120.00
Boiling point (Kelvin)
393.15
General information
Molecular weight
1550.24g/mol
Molar mass
1 550.2400g/mol
Density
1.6200g/cm3
Appearence

Iodixanol appears as a white to off-white crystalline powder. It is often used in solutions as a contrast agent, where it is dissolved in a clear liquid.

Comment on solubility

Solubility of 3-[(butanoylamino)methyl]-5-[[7-[3-[(butanoylamino)methyl]-5-carboxy-2,4,6-triiodo-anilino]-7-oxo-heptanoyl]amino]-2,4,6-triiodo-benzoic acid

The solubility of this complex organic compound is influenced by multiple factors, primarily its intricate structure comprising multiple functional groups. Generally, compounds containing carboxylic acid groups tend to exhibit higher solubility in polar solvents due to their ability to form hydrogen bonds. However, the presence of large hydrophobic sections, like the butanoyl amino groups and triiodo substituents, can significantly reduce solubility in water.

Key Considerations for Solubility:

  • Hydrophilicity vs. Hydrophobicity: The balance between the hydrophilic carboxylic acid group and the hydrophobic regions dictates solubility.
  • Solvent Interaction: Solubility is generally better in polar solvents, such as methanol or DMSO, where the compound can interact through dipole-dipole interactions.
  • Temperature Dependence: Increased temperature usually enhances solubility, particularly for organic compounds.
  • pH Levels: The ionization of carboxylic acids in aqueous solutions can increase solubility under certain pH conditions.

In conclusion, while this compound may exhibit some solubility in polar aprotic solvents due to its functional groups, the presence of bulky substituents and hydrophobic characteristics suggests that it will have limited solubility in water, which could present challenges for applications requiring aqueous formulations. As always, experimental data should be consulted to confirm solubility properties.

Interesting facts

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

This compound is a fascinating chemical entity with significant implications in various fields, particularly in medicinal chemistry and bioengineering. Its complex structure suggests a multi-functional role that can be exploited in drug design and targeted therapies. Here are some interesting points:

  • Complexity: The intricate arrangement of substituents on the aromatic rings highlights the opportunities for customizing interactions with biological systems. This complexity can lead to *enhanced specificity* in target binding, making it a valuable candidate in drug development.
  • Triiodo-group: The presence of the tri-iodo substituents introduces unique properties such as increased *lipophilicity* and potential imaging capabilities in diagnostic applications, particularly in *nuclear medicine*.
  • Functional Groups: The butanoylamino and carboxylic acid groups grant this compound *acid-base characteristics*, which may influence its solubility and interactions in physiological environments.
  • Anticancer Potential: Due to its pharmacophore diversity, compounds similar to this structure are often explored for their anti-tumor activity, making them subjects of interest in oncology.
  • Research Applications: It serves as a useful template in the synthesis of more targeted compounds or as a lead compound in developing *antibody-drug conjugates*.

As a chemistry student or scientist, recognizing the potential applications of such a compound not only enhances our understanding of medicinal chemistry but also inspires future exploration in therapeutic strategies. This compound exemplifies the intersection of *synthetic chemistry* and *biological activity*, making it a captivating subject of study.

Synonyms
BENZOIC ACID, 3,3'-(PIMELOYLDIIMINO)BIS(5-(BUTYRAMIDOMETHYL)-2,4,6-TRIIODO-
3,3'-Pimeloyldiiminobis(5-(butyramidomethyl)-2,4,6-triiodobenzoic acid)
25903-29-1
DTXSID10180569
RefChem:326958
DTXCID00103060