CAS 111453-32-8

3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodobenzoic acid

Description:

3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodobenzoic acid, with CAS number 111453-32-8, is a complex organic compound characterized by its multiple functional groups and iodine substituents. This substance features a benzoic acid core with three iodine atoms attached to the aromatic ring, which significantly influences its chemical properties, including increased molecular weight and potential for enhanced biological activity. The presence of an amino group and a dihydroxypropyl chain suggests that it may exhibit both hydrophilic and hydrophobic characteristics, potentially affecting its solubility in various solvents. The compound's structure indicates it could participate in hydrogen bonding due to the hydroxyl groups, which may enhance its reactivity and interaction with biological systems. Additionally, the triiodobenzoic acid moiety may have applications in medical imaging or as a contrast agent due to the high atomic number of iodine. Overall, this compound's unique structure positions it as a potentially valuable substance in pharmaceuticals and research applications.

Formula: C₁₁H₁₁I₃N₂O₅

InChI: InChI=1S/C11H11I3N2O5/c12-6-4(10(19)16-1-3(18)2-17)7(13)9(15)8(14)5(6)11(20)21/h3,17-18H,1-2,15H2,(H,16,19)(H,20,21)

InChI key: InChIKey=URFBLIYCWAORDM-UHFFFAOYSA-N

SMILES: C(NCC(CO)O)(=O)C1=C(I)C(C(O)=O)=C(I)C(N)=C1I

Synonyms:

• 3-Amino-5-[[(2,3-dihydroxypropyl)amino]carbonyl]-2,4,6-triiodobenzoic acid
• 5-Amino-N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide acid
• Benzoic Acid, 3-Amino-5-[[(2,3-Dihydroxypropyl)Amino]Carbonyl]-2,4,6-Triiodo-
• 3-Amino-5-((2,3-dihydroxypropyl)carbamoyl)-2,4,6-triiodobenzoic acid
• 3-Amino-5-[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodobenzoic acid

Iopromide Impurity 1

CAS: 111453-32-8

Formula: C₁₁H₁₁I₃N₂O₅

Color and Shape: Pale Yellow Solid

Molecular weight: 631.93

Ref: 4Z-I-057009