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Ioversol

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Identification
Molecular formula
C18H24I3N3O9
CAS number
87771-40-2
IUPAC name
2-[3-[acetyl(ethyl)amino]-2,4,6-triiodo-phenoxy]-2-phenyl-acetic acid
State
State

At room temperature, Ioversol is in a liquid state, typically used in solution form.

Melting point (Celsius)
199.00
Melting point (Kelvin)
472.15
Boiling point (Celsius)
422.20
Boiling point (Kelvin)
695.35
General information
Molecular weight
807.11g/mol
Molar mass
807.1100g/mol
Density
1.4696g/cm3
Appearence

The compound generally appears as a light-sensitive, clear, colorless to slightly yellow liquid. It is formulated for medical use as a radiopaque contrast agent.

Comment on solubility

Solubility of 2-[3-[acetyl(ethyl)amino]-2,4,6-triiodo-phenoxy]-2-phenyl-acetic acid

The solubility of 2-[3-[acetyl(ethyl)amino]-2,4,6-triiodo-phenoxy]-2-phenyl-acetic acid can be influenced by several factors due to its complex structure. Here are key aspects of its solubility:

  • Polar and Nonpolar Character: The compound contains both polar and nonpolar components, arising from the presence of an acetyl group and the triiodo-phenoxy structure, which can create a balance that may enhance solubility in certain solvents.
  • Solvent Effects: It is expected to show greater solubility in organic solvents like dimethyl sulfoxide (DMSO) and ethyl acetate due to the presence of nonpolar phenyl rings.
  • Aqueous Solubility: The presence of polar functional groups may suggest some level of aqueous solubility; however, empirical testing is necessary to determine the extent to which it dissolves in water.
  • pH Dependence: Solubility may also be pH-dependent. Ionization of the carboxylic acid group could enhance solubility at higher pH levels.

In conclusion, while predicting the solubility of this compound is complex, the interplay of its structural features suggests that it may exhibit variable solubility depending on the solvent and environmental conditions. Empirical solubility data will be imperative for a more definitive understanding.

Interesting facts

Interesting Facts About 2-[3-[acetyl(ethyl)amino]-2,4,6-triiodo-phenoxy]-2-phenyl-acetic acid

This fascinating compound is a part of the larger family of **phenoxyacetic acids**, which are known for their diverse applications in various fields. Here are some interesting points about this particular compound:

  • Pharmacological Significance: It holds potential as a pharmaceutical agent, particularly in fields like **anti-inflammatory** and **analgesic therapies**. This attribute makes it an intriguing subject for research in medicinal chemistry.
  • Iodine Atoms: With three iodine substituents in its structure, this compound showcases the unique properties of organoiodine compounds. Iodine not only enhances the *electrophilic character* of the aromatic system but also contributes to increased *lipophilicity*, which may be associated with biological activity.
  • Functional Groups: The presence of the acetyl(ethyl)amino group adds to its complexity. This functional group plays a crucial role in modulating the pharmacokinetic properties and bioavailability of the compound in biological systems.
  • Synthetic Pathways: The synthesis of this compound often involves multi-step reactions, highlighting the intricate dance of modified reactions that can bring one molecule to fruition from simpler precursors. Chemists frequently explore varying **reaction conditions** to optimize yields and purity.
  • Structure-Activity Relationship (SAR): Understanding the SAR of this compound can lead to the design of more effective derivatives. Exploring how changes to the structure affect the biological activity is essential for drug discovery.
  • Environmental Impact: As with many iodine-containing compounds, studying the environmental impact and degradation pathways of such substances is increasingly important. This awareness helps in assessing both safety and ecological consequences.

This compound not only exemplifies the intersection of organic chemistry and medicine but also serves as a reminder of the richness and diversity of chemical structures. As research progresses, compounds like this may lead to groundbreaking developments in **therapeutics** and **chemical biology**.

Synonyms
BRN 2913362
23189-32-4
2-(3-(N-Ethylacetamido)-2,4,6-triiodophenoxy)-2-phenylacetic acid
Acido (3-N-etilacetilamino-2,4,6-triiodofenossi)fenilacetico [Italian]
Benzeneacetic acid, alpha-(3-(acetylethylamino)-2,4,6-triiodophenoxy)-
ACETIC ACID, 2-(3-(N-ETHYLACETAMIDO)-2,4,6-TRIIODOPHENOXY)-2-PHENYL-
Acido (3-N-etilacetilamino-2,4,6-triiodofenossi)fenilacetico
RefChem:316440
Benzeneacetic acid, alpha-(3-(acetylethylamino)-2,4,6-triiodophenoxy)-(9CI)
DTXSID90945855
{3-[acetyl(ethyl)amino]-2,4,6-triiodophenoxy}(phenyl)acetic acid