Skip to main content

Iodixanol

ADVERTISEMENT
Identification
Molecular formula
C35H44I6N6O15
CAS number
92339-11-2
IUPAC name
3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid
State
State
At room temperature, iodixanol is typically prepared as a solution, specifically for use in medical imaging. As a powder, it is a solid, but it is commonly encountered in a liquid state when used as a contrast agent.
Melting point (Celsius)
190.00
Melting point (Kelvin)
463.00
Boiling point (Celsius)
250.00
Boiling point (Kelvin)
523.00
General information
Molecular weight
1550.16g/mol
Molar mass
1 550.1600g/mol
Density
2.2000g/cm3
Appearence
Iodixanol appears as a white or almost white powder, which is sparingly soluble in water. It is typically used in pharmaceutical formulations as an injectable solution, appearing as a clear, colorless to pale yellow liquid.
Comment on solubility

Solubility of 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid

The solubility characteristics of the compound with the chemical formula C35H44I6N6O15 are influenced by its complex structure and the presence of multiple functional groups. Understanding the solubility is essential for its applications and interactions in various environments.

General Solubility Profile

  • Solvent Polarity: The presence of polar functional groups, such as hydroxyl and amide groups, suggests potential solubility in polar solvents like water and alcohols.
  • Hydrophobic Interactions: The substantial non-polar sections may lead to lower solubility in highly polar solvents, indicating a balance between hydrophilic and hydrophobic properties.
  • Temperature Influence: Solubility may increase with higher temperatures, as is typical for many compounds.

Specific Solubility Considerations

This compound is likely to exhibit:

  • Increased solubility in organic solvents: Due to hydrophobic regions that can interact favorably with non-polar solvents.
  • Lower solubility in highly polar media: This could be a result of steric hindrance and the presence of bulky iodine atoms.

Overall, while the extensive functionalization of this compound offers versatile interactions with different solvents, the solubility remains a complex interplay of its molecular structure. Understanding these properties can enhance its practical applications, optimizing conditions for use in various chemical environments.

Interesting facts

Interesting Facts about 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid

This compound is a fascinating example of a highly iodinated benzamide derivative, distinguished by its multiple functional groups that provide a host of intriguing characteristics. Let's explore some key points that highlight its significance:

  • Medical Applications: Due to its structural complexity and the presence of iodine, this compound may find potential applications in radiology as a contrast agent. Iodine is known for its ability to enhance imaging contrast in various medical imaging techniques, making it invaluable in diagnostics.
  • Chemical Complexity: The compound features an elaborate structure that includes multiple acetyl and carbamoyl groups, which can significantly influence its pharmacokinetic profiles, including absorption, distribution, metabolism, and excretion.
  • Environmental Impact: Given the presence of iodine, understanding the environmental behavior of this compound and similar iodinated compounds is essential. Iodine can affect oceanic and freshwater ecosystems, posing risks to aquatic life.
  • Synthetic Challenge: The synthesis of such compounds is often complex, requiring multiple steps and precise conditions. This complexity provides valuable learning experiences in advanced organic synthesis techniques for students and researchers alike.
  • Structural Insights: The incorporation of 2,4,6-triiodobenzoic acid as a core structure showcases the importance of aromatic compounds in medicinal chemistry. The triiodo substitution pattern can greatly influence the physicochemical properties and biological activity.

In conclusion, the compound is not only important in theoretical studies but also has potential practical implications in medicine and environmental science. As we explore further into the world of complex chemical compounds, it's clear that structures like this provide a unique glimpse into the intricacies of chemical design and application.

Synonyms
ioxaglic acid
Ioxaglate
59017-64-0
Acido ioxaglico
Acide ioxaglique
Hexabrix 160
Acidum ioxaglicum
IOXAGLIC ACID (100 MG)
P 286 (Contrast medium)
Acide ioxaglique [INN-French]
Acido ioxaglico [INN-Spanish]
Acidum ioxaglicum [INN-Latin]
EINECS 261-560-1
Z40X7EI2AF
Hexabrix 320
DTXSID5023166
CHEBI:31718
HSDB 8077
IOXAGLATE [VANDF]
3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid
N-(2-Hydroxyethyl)-2,4,6-triiodo-5-(2-(2,4,6-triiodo-3-(N-methylacetamido)-5-(methylcarbamoyl)benzamido)acetamido)isophthalamic acid
IOXAGLIC ACID [MI]
IOXAGLIC ACID [INN]
IOXAGLIC ACID [JAN]
IOXAGLIC ACID [USAN]
Hexabrix 160; P 286
Ioxaglic acid [USAN:USP:INN:BAN:JAN]
IOXAGLIC ACID [MART.]
DTXCID703166
IOXAGLIC ACID [USP-RS]
IOXAGLIC ACID [WHO-DD]
3-[(N-{3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl}glycyl)amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
P-286
IOXAGLIC ACID [EP MONOGRAPH]
IOXAGLIC ACID [USP MONOGRAPH]
Benzoic acid, 3-((((3-(acetylmethylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoyl)amino)acetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodo-
NCGC00016886-01
CAS-59017-64-0
IOXAGLIC ACID (MART.)
Acide ioxaglique (INN-French)
Acido ioxaglico (INN-Spanish)
Acidum ioxaglicum (INN-Latin)
IOXAGLIC ACID (USP-RS)
IOXAGLIC ACID (EP MONOGRAPH)
IOXAGLIC ACID (USP MONOGRAPH)
BENZOIC ACID, 3-((((3-(ACETYLMETHYLAMINO)-2,4,6-TRIIODO-5-9((METHYLAMINO)CARBONYL)BENZOYL)AMINO)ACETYL)AMINO)-5-(((2-HYDROXYETHYL)AMINO)CARBONYL)-2,4,6-TRIIODO-
Benzoic acid, 3-[[[[3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodo-
Ioxaglic acid (USAN:USP:INN:BAN:JAN)
UNII-Z40X7EI2AF
ioxaglic-acid
3-((N-(3-(acetyl(methyl)amino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl)glycyl)amino)-5-((2-hydroxyethyl)carbamoyl)-2,4,6-triiodobenzoic acid
Ioxaglic acid; 3-[[[[3-(Acetylmethylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
N-(2-Hydroxyethyl)-2,4,6-triiodo-5-[2-[2,4,6-triiodo-3-(N-methylacetamido)-5-(methylcarbamoyl)benzamido]acetamido]isophthalamic acid
Hexabrix 320 (TN)
Prestwick0_001062
Prestwick1_001062
Prestwick2_001062
Prestwick3_001062
SCHEMBL38073
BSPBio_001044
MLS002154135
SPBio_002962
BPBio1_001150
Ioxaglic acid (JAN/USP/INN)
CHEMBL1201291
V08AB03
TYYBFXNZMFNZJT-UHFFFAOYSA-N
HMS1571E06
HMS2098E06
HMS2234I18
HMS3371K01
HMS3715E06
Tox21_110664
AKOS040758216
CCG-221062
DB09313
NCGC00016886-02
NCGC00016886-04
DA-64479
SMR001233442
HY-106586
AB00514026
CS-0026109
NS00006189
D01761
EN300-19767823
SR-01000841818
Q6064817
SR-01000841818-2
BRD-K79124250-001-03-0
BRD-K79124250-001-08-9
[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodo-
261-560-1
3-((((3-Acetylmethylamino)-2,4,6-triiodo-5-((methylamino)carbonyl)benzoyl)amino)acetyl)amino)-5-((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodobenzoic acid
3-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodo-5-(2-{[2,4,6-triiodo-3-(methylcarbamoyl)-5-(N-methylacetamido)phenyl]formamido}acetamido)benzoic acid
3-{[N-({3-[acetyl(methyl)amino]-2,4,6-triiodo-5-[(methylamino)carbonyl]phenyl}carbonyl)glycyl]amino}-5-{[(2-hydroxyethyl)amino]carbonyl}-2,4,6-triiodobenzoic acid
N-(2-Hydroxyethyl)-2,4,6-triiodo-5-(2-(2,4,6-triiodo-3-(N-methylacetamido-5-(methylcarbamoyl)benzamido)acetamido)isophthalamic acid