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Iodixanol

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Identification
Molecular formula
C35H44I6N6O15
CAS number
92339-11-2
IUPAC name
3-[[6-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-6-oxo-hexanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
State
State

At room temperature, iodixanol is typically in a solid state as a crystalline powder. When prepared as a contrast media for medical imaging, it is used in liquid form.

Melting point (Celsius)
165.50
Melting point (Kelvin)
438.65
Boiling point (Celsius)
475.00
Boiling point (Kelvin)
748.15
General information
Molecular weight
1550.24g/mol
Molar mass
1 550.2400g/mol
Density
2.0900g/cm3
Appearence

Iodixanol typically appears as a white or off-white crystalline powder. It is odorless and has a bitter taste. When in solution, it is a clear liquid.

Comment on solubility

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

The solubility of 3-[[6-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-6-oxo-hexanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid can be influenced by a variety of factors due to its complex chemical structure. Here are some notable points regarding its solubility:

  • Polarity: The presence of multiple polar functional groups, such as carboxylic acid and amide linkages, suggests that this compound may have a degree of polarity, which can enhance its solubility in polar solvents.
  • Hydrophobic Regions: With tri-iodinated phenyl rings, the molecule exhibits significant hydrophobic characteristics, potentially limiting its solubility in water and favoring solubility in organic solvents.
  • pH Dependence: The carboxylic acid group may exhibit differences in solubility based on the pH. At lower pH levels, it is likely to remain protonated, while at higher pH levels, it may ionize, increasing its solubility in aqueous solutions.
  • Concentration Effects: At higher concentrations, solubility may be affected by intermolecular interactions, such as aggregation or precipitation.

In summary, the solubility of this compound is expected to vary significantly between nonpolar and polar solvents, with factors such as ionic strength and temperature playing critical roles. As with many complex organic compounds, empirical testing in different solvents is crucial for determining precise solubility characteristics.

Interesting facts

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

This fascinating compound belongs to a class of molecules that are rich in iodine and possess a unique structural complexity. Let’s delve into some noteworthy facts about this compound:

  • Medical Applications: Compounds featuring multiple iodine atoms, like this one, are often investigated for their potential in medical imaging, particularly in positron emission tomography (PET) scans due to iodine's favorable gamma radiation properties.

  • Versatile Functional Groups: The presence of carboxylic acid and amide functional groups means this compound exhibits both acidic and basic characteristics, making it potentially useful in drug formulation and bioactivity studies.

  • Synthetic Challenges: The synthesis of such complex molecules often requires intricate multi-step processes, showcasing the creativity and expertise of chemists in designing and refining synthetic pathways.

  • Environmental Impact: The use of iodine compounds in pharmaceuticals raises discussions regarding their environmental fate and biodegradability, highlighting the importance of sustainable chemistry practices.

  • Research Opportunities: With its unique structure, this compound presents numerous opportunities for research and development in areas such as medicinal chemistry, materials science, and biochemistry.

In summary, 3-[[6-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-6-oxo-hexanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid is not just a molecule with interesting chemical properties; it serves as a platform for exploration in diverse fields, opening doors to potential applications and innovative solutions.

Synonyms
Iocarmic acid
10397-75-8
Acido iocarmico
Acide iocarmique
MP 2032
82PB24K6TZ
3-[[6-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-6-oxohexanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
DTXSID7023148
5,5'-(Adipoyldiimino)bis(2,4,6-triiodo-N-methylisophthalamic acid)
Benzoic acid, 3,3'-((1,6-dioxo-1,6-hexanediyl)diimino)bis(2,4,6-triiodo-5-((methylamino)carbonyl)-
MP-2032
Iocarmate
Mielotrast
Iocarminic acid
Acidum jocarmicum
Acidum iocarmicum
Acide iocarmique [INN-French]
Acido iocarmico [INN-Spanish]
Acidum iocarmicum [INN-Latin]
EINECS 233-861-8
BRN 2800350
UNII-82PB24K6TZ
Iocarmic acid [USAN:INN:BAN]
5,5'-Hexanediamidebis(2,4,6-triiodo-N-methylisophthalamic acd)
IOCARMIC ACID [MI]
5,5'-(Tetramethylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodoisophthalamic acid)
IOCARMIC ACID [INN]
IOCARMIC ACID [JAN]
SCHEMBL38580
IOCARMIC ACID [USAN]
IOCARMIC ACID [MART.]
DTXCID903148
IOCARMIC ACID [WHO-DD]
CHEMBL2106389
CHEBI:31702
Iocarmic acid (JAN/USAN/INN)
SMQYOVYWPWASGU-UHFFFAOYSA-N
Tox21_113712
DB13755
Isophthalamic acid, 5,5'-(tetramethylenebis(carbonylimino))bis(N-methyl-2,4,6-triiodo-
NCGC00249936-01
3,3'-((1,6-Dioxo-1,6-hexanediyl)diimino)bis(2,4,6-triiodo-5-((methylamino)carbonyl)benzoic acid)
CAS-10397-75-8
NS00002350
D01099
Q3604531
3,3'-[(1,6-dioxohexane-1,6-diyl)diimino]bis{2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid}