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Iohexol

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Identification
Molecular formula
C19H26I3N3O9
CAS number
66108-95-0
IUPAC name
2-[3-[acetyl(methyl)amino]-2,4,6-triiodo-phenoxy]butanoic acid
State
State

At room temperature, Iohexol is typically encountered as a solution for use in radiographic studies. The solid form is rarely used directly; it is usually dissolved in water or saline to achieve the proper concentration and osmolarity for medical use.

Melting point (Celsius)
168.00
Melting point (Kelvin)
441.15
Boiling point (Celsius)
279.00
Boiling point (Kelvin)
552.15
General information
Molecular weight
821.14g/mol
Molar mass
821.1400g/mol
Density
1.6800g/cm3
Appearence

Iohexol appears as a white crystalline, hygroscopic powder. It is often used in a dissolved form for medical imaging purposes. The crystalline form is not typically visible in daily use conditions since it is usually administered in solution form for such procedures.

Comment on solubility

Solubility of 2-[3-[acetyl(methyl)amino]-2,4,6-triiodo-phenoxy]butanoic acid

The solubility of 2-[3-[acetyl(methyl)amino]-2,4,6-triiodo-phenoxy]butanoic acid is influenced by several factors:

  • Polarity: The molecule contains both polar and non-polar components due to its structure, which can affect solubility in different solvents.
  • Functional Groups: The presence of the carboxylic acid group (-COOH) suggests that it may be more soluble in polar solvents like water due to hydrogen bonding abilities.
  • Iodine Atoms: The triiodinated nature of the phenoxy ring can introduce some hydrophobic characteristics, potentially decreasing solubility in water but enhancing it in organic solvents.

In practice, it is likely that:

  1. The compound is more soluble in polar organic solvents.
  2. Its solubility in water may be limited due to the bulky iodine atoms, which can create steric hindrance and lower interactions with water molecules.

Overall, the solubility of this compound can be described as variable, dependent on conditions like temperature, pH, and the presence of other solutes in the system.

Interesting facts

Interesting Facts about 2-[3-[acetyl(methyl)amino]-2,4,6-triiodo-phenoxy]butanoic acid

This compound is a fascinating member of the class of chemicals known as iodinated phenoxy acids. Its structure is complex and offers a wealth of intriguing properties and potential applications.

Chemical Characteristics

  • Iodination: The presence of three iodine atoms introduces unique reactivity and potential health benefits, showcasing the role halogens can play in medicinal chemistry.
  • Acetylation: The acetyl group not only enhances solubility but also contributes to the compound's biological activity, making it an interesting candidate for various pharmacological studies.
  • Amine Functionality: With an acetyl(methyl)amino group, this compound exhibits an array of interactions, particularly in biological systems, where amino functionalities are crucial for binding to receptors.

Potential Applications

This chemical compound is being researched for its potential applications in:

  • Pharmaceutical Development: Due to its biologically relevant structure, researchers are investigating its effectiveness as a therapeutic agent for certain diseases.
  • Environmental Science: Its unique properties may lend insights into environmental pollutant behaviors and interactions.

Noteworthy Research

A significant aspect of this compound is its potential role in the design of novel pharmaceuticals. According to researchers, "the unique combination of iodine and phenoxy functional groups provides a platform for enhancing the bioactivity of aromatic compounds." This raises exciting prospects in the realm of drug design and discovery.

In summary, 2-[3-[acetyl(methyl)amino]-2,4,6-triiodo-phenoxy]butanoic acid exemplifies the intricate balance between chemical structure and biological activity, inviting further study and exploration into its properties and uses.

Synonyms
13080-23-4
BRN 2674730
2-(3-(N-Methylacetamido)-2,4,6-triiodophenoxy)butyric acid
BUTYRIC ACID, 2-(3-(N-METHYLACETAMIDO)-2,4,6-TRIIODOPHENOXY)-
2-[3-[acetyl(methyl)amino]-2,4,6-triiodophenoxy]butanoic acid
2-[3-(N-Methylacetylamino)-2,4,6-triiodophenoxy]butyric acid
2-{3-[Acetyl(methyl)amino]-2,4,6-triiodophenoxy}butanoic acid
DTXSID80926916