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Iodixanol

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Identification
Molecular formula
C35H44I6N6O15
CAS number
92339-11-2
IUPAC name
3-[[7-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-7-oxo-heptanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
State
State
At room temperature, Iodixanol is usually found in a liquid state when formulated for diagnostic purposes. In its pure form, it is a crystalline powder.
Melting point (Celsius)
158.00
Melting point (Kelvin)
431.15
Boiling point (Celsius)
210.00
Boiling point (Kelvin)
483.15
General information
Molecular weight
1550.20g/mol
Molar mass
1 550.1980g/mol
Density
1.6200g/cm3
Appearence
Iodixanol is typically described as an off-white or a pale yellow crystalline powder. It is often marketed in solution form for medical and diagnostic use, where it appears as a clear, colorless to pale yellow liquid.
Comment on solubility

Solubility of 3-[[7-[3-carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-7-oxo-heptanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid

This complex molecule exhibits unique solubility characteristics that can be influenced by several factors. The solubility of a compound generally depends on:

  • Polarity: The presence of polar functional groups, such as the carboxylic acid and amine moieties in this compound, can enhance its solubility in polar solvents like water.
  • Iodine Atoms: The incorporation of multiple iodide groups may decrease the overall solubility in aqueous environments, as heavy halogens can disrupt hydrogen bonding.
  • Hydrogen Bonding: The capacity for hydrogen bonding due to the carboxylic acid group and the nitrogen in the pyrrolidine can lead to increased interactions with solvent molecules.
  • Molecular Size: The large size of the molecule, particularly with long hydrocarbon chains and multiple functional groups, may reduce solubility due to steric hindrance.

In summary, while the polar functional groups suggest a potential for solubility in polar solvents, the presence of bulky iodine atoms and the complex overall structure could hinder solubility. Broadly, one might conclude that:

  • The solubility is likely to be moderate in polar solvents but may face challenges in fully aqueous environments.
  • Testing in various solvents is recommended to clearly understand its solubility profile.

Exploring this compound's solubility behavior will certainly shed light on its possible applications in pharmaceuticals and materials science.

Interesting facts

Interesting Facts about 3-[[7-[3-Carboxy-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]anilino]-7-oxo-heptanoyl]amino]-2,4,6-triiodo-5-[(2-oxopyrrolidin-1-yl)methyl]benzoic Acid

This intriguing compound is a complex molecule characterized by a blend of various functional groups, making it a fascinating subject of study in medicinal chemistry. Here are some notable facts:

  • Structural Complexity: The compound features multiple iodine atoms, which significantly influence its biological activity and pharmacokinetics. Iodine is critical for thyroid function, and this compound’s structure may provide insights into iodine's role in medicinal applications.
  • Potential Pharmacological Applications: Given the presence of an anilino group and a benzoic acid moiety, the compound may exhibit noteworthy interactions with biological targets. These functionalities are often associated with anti-inflammatory and anti-cancer activities.
  • Oxopyrrolidine Contributions: The two oxopyrrolidinyl groups within the molecule can enhance the stability and lipophilicity of the compound, potentially allowing for improved absorption and distribution in biological systems.
  • Research Implications: Due to its complex nature, this compound may serve as a compelling candidate for the development of novel pharmaceuticals. Researchers are continuously exploring compounds with specific modifications to achieve desired therapeutic effects.
  • Multifaceted Challenges: The synthesis of such complex molecules can pose significant challenges. Understanding reaction mechanisms and optimizing synthesis pathways are crucial for efficient production and evaluation of potential applications.

In research, it is often said that "the complexity of a molecule can dictate its potency." The intricate design of this compound showcases the delicate balance between structural variation and functional efficacy, highlighting the creativity and innovation inherent in the field of chemistry.


Continued exploration of such sophisticated compounds is essential for advancing our knowledge in medicinal chemistry and drug development, paving the way for future breakthroughs in healthcare.

Synonyms
26090-52-8
Benzoic acid, 3,3'-(pimeloyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-
BRN 1523583
3,3'-Pimeloyldiiminobis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodobenzoic acid)
DTXSID90180724
3-[6-[[3-CARBOXY-2,4,6-TRIIODO-5-[(2-OXOPYRROLIDIN-1-YL)METHYL]PHENYL]CARBAMOYL]HEXANOYLAMINO]-2,4,6-TRIIODO-5-[(2-OXOPYRROLIDIN-1-YL)METHYL]BENZOIC ACID