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Ioversol

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Identification
Molecular formula
C18H24I3N3O9
CAS number
87771-40-2
IUPAC name
3-(acetamidomethyl)-5-[[6-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-6-oxo-hexanoyl]amino]-2,4,6-triiodo-benzoic acid
State
State

At room temperature, Ioversol is typically in a solid state, appearing as a crystalline powder. Its solid nature makes it suitable for pharmaceutical preparations.

Melting point (Celsius)
132.00
Melting point (Kelvin)
405.15
Boiling point (Celsius)
329.00
Boiling point (Kelvin)
602.15
General information
Molecular weight
807.12g/mol
Molar mass
807.1150g/mol
Density
2.0200g/cm3
Appearence

Ioversol appears as a white to off-white crystalline powder. It is commonly used as a contrast agent in medical imaging, especially in X-ray based procedures.

Comment on solubility

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

This compound, known for its complex structure, exhibits interesting solubility characteristics influenced by its functional groups and halogen substitutions. The presence of the acetamidomethyl and carboxylic acid groups suggests that the compound has the potential to engage in hydrogen bonding, which can enhance its solubility in polar solvents.

Key points regarding its solubility include:

  • Polar solvents: The compound is more likely to be soluble in polar solvents such as water and alcohols due to the presence of amide and carboxylic acid functionalities.
  • Non-polar solvents: Its solubility decreases significantly in non-polar solvents due to the high polarity introduced by the iodine substituents and functional groups.
  • The solubility of the carboxylic acid group may increase with higher pH, as it could deprotonate, leading to a more soluble anionic form.
  • Temperature Dependance: Like many organic compounds, solubility can also be affected by temperature, often increasing with a rise in temperature.

In conclusion, while the exact solubility can vary based on environmental factors, understanding the polar and non-polar interactions offers insight into how to effectively dissolve this compound for practical applications. As always, empirical testing remains essential for precise solubility measurements.

Interesting facts

Interesting Facts about 3-(Acetamidomethyl)-5-[[6-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-6-oxo-hexanoyl]amino]-2,4,6-triiodo-benzoic acid

This compound belongs to a specialized class of organic molecules known for their complex structure and significant applications in the field of medicinal chemistry and pharmaceuticals. Here are some intriguing aspects:

  • Multiple Functional Groups: The structure of this compound is enriched with various functional groups such as acetamido, carboxy, and oxo groups which contribute to its biological activity and reactivity.
  • Triiodinated Compounds: The presence of triiodinated moieties in its structure emphasizes its potential use in imaging techniques like computed tomography (CT) where iodine acts as a radio-opaque contrast agent.
  • Biological Applications: Such compounds have been researched for their potential in anticancer therapies, due to the presence of aromatic rings and functionalized amine groups that can interact with biological targets.
  • Structural Complexity: The intricate arrangement of the chemical structure suggests a prospective pharmacophore, a molecular feature crucial for biological interaction.
  • Research Studies: Published studies have begun to explore the impact of similar compounds on cell signaling pathways, illuminating the broader implications of triiodinated compounds in treating various diseases.

As with many complex organic molecules, the synthesis and characterization of 3-(acetamidomethyl)-5-[[6-[3-(acetamidomethyl)-5-carboxy-2,4,6-triiodo-anilino]-6-oxo-hexanoyl]amino]-2,4,6-triiodo-benzoic acid pose significant challenges, requiring advanced synthetic techniques and characterization methods such as NMR spectroscopy and mass spectrometry. Nevertheless, the development of such compounds holds promise not only in therapeutics but also in enhancing our understanding of molecular interactions within biological systems.

Synonyms
BRN 2800602
BENZOIC ACID, 3,3'-(ADIPOYLDIIMINO)BIS(5-(ACETAMIDOMETHYL)-2,4,6-TRIIODO-
25901-37-5
DTXSID40180557
3,3'-(Adipoyldiimino)bis(5-(acetamidomethyl)-2,4,6-triiodobenzoic acid)
RefChem:326939
DTXCID80103048