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Iotrolan

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Identification
Molecular formula
C23H24I6N2O9
CAS number
141800-06-6
IUPAC name
3-[[12-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-12-oxo-dodecanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
State
State

At room temperature, Iotrolan is typically a solid. It is stable under normal temperatures and pressures and is usually handled as a powder in pharmaceutical formulations.

Melting point (Celsius)
208.00
Melting point (Kelvin)
481.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
791.91g/mol
Molar mass
791.9120g/mol
Density
2.1279g/cm3
Appearence

Iotrolan appears as a white or almost white powder. It is a non-ionic, water-soluble radiographic contrast agent commonly used in medical imaging.

Comment on solubility

Solubility of 3-[[12-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-12-oxo-dodecanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid

The solubility of the compound 3-[[12-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-12-oxo-dodecanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid can be quite complex due to its intricate structure and numerous functional groups. Understanding its solubility involves examining several factors:

  • Polarity: Given the presence of both hydrophilic (carboxylic acid) and hydrophobic (alkyl chain) groups, the overall polarity of the compound may lead to moderate solubility in polar solvents like water, but lower solubility in non-polar solvents.
  • Temperature: Solubility often increases with rising temperature; thus, it is feasible that this compound could exhibit improved solubility at elevated temperatures.
  • pH Dependence: The solubility of the carboxylic acid group can vary significantly with changes in pH, potentially becoming more soluble in alkaline conditions where it can ionize, compared to neutral or acidic environments.
  • Interactions with Solvents: The presence of iodine atoms introduces interesting halogen interactions, which can affect solubility behavior in various solvents.

In conclusion, the solubility profile of this compound is likely to vary substantially depending on the conditions under which it is assessed. As noted, one could state: "The solubility of this compound is a reflection of its multifaceted character, influenced by both intrinsic chemical properties and external environmental conditions."

Interesting facts

Interesting Facts about 3-[[12-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-12-oxo-dodecanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid

This compound, known for its complex structure and unique properties, is a fascinating example of how chemical modifications can lead to compounds with specific functions.

Key Features

  • Triiodinated Structure: The presence of iodine atoms in this compound not only adds to its molecular complexity but also enhances its potential applications in imaging and therapeutic strategies in medical chemistry.
  • Carboxylic Acids: The carboxylic acid functional groups contribute to the compound's acidity and can play crucial roles in biological interactions, making it relevant for studies on biochemical pathways.
  • Amide Bonds: The inclusion of methylcarbamoyl groups suggests that this compound could exhibit interesting interaction patterns with biological macromolecules, such as proteins or nucleic acids.
  • Pharmaceutical Relevance: Compounds like this often serve as lead compounds for drug development because their intricate structures can be tailor-made to fit specific biological targets.

Applications and Implications

Such a chemical might be investigated for uses in:

  1. Diagnostic Imaging: Iodinated compounds are often used as contrast agents in imaging techniques.
  2. Anticancer Therapeutics: The ability to modify such compounds to target cancer cells could lead to significant advancements in treatment.
  3. Research Reagents: Its unique structural features make it a suitable candidate for further chemical and biological research.

In conclusion, the intricate design of 3-[[12-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-12-oxo-dodecanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid opens doors to various scientific inquiries, particularly in pharmaceutical chemistry. As we explore the world of chemical compounds, we continue to unveil their potential to revolutionize healthcare and our understanding of biological systems.

Synonyms
BRN 2800653
I7GB1YG0GB
Isophthalamic acid, 5,5'-(decamethylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodo-
UNII-I7GB1YG0GB
DTXSID40146173
5,5'-(Decamethylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodoisophthalamic acid)
5,5'-(Dodecanedioyldiimino)-bis(2,4,6-triiodo-N-methylisophthalamate
ISOPHTHALAMIC ACID, 5,5'-(DODECANEDIOYLDIIMINO)BIS(2,4,6-TRIIODO-N-METHYL-
DTXCID4068664
10397-78-1