CAS 67032-31-9

3,5-bis(hexanoylamino)-2,4,6-triiodobenzoic acid

Description:

3,5-bis(hexanoylamino)-2,4,6-triiodobenzoic acid, with the CAS number 67032-31-9, is a chemical compound characterized by its complex structure, which includes a benzoic acid core substituted with three iodine atoms and two hexanoylamino groups. This compound is notable for its high iodine content, which can impart unique properties such as increased density and potential applications in imaging or therapeutic contexts. The presence of the hexanoylamino groups enhances its solubility in organic solvents and may influence its biological activity, making it of interest in medicinal chemistry. Additionally, the triiodobenzoic acid moiety suggests potential uses in radiology or as a contrast agent due to the radiopaque nature of iodine. The compound's synthesis and stability can be influenced by the conditions under which it is prepared, including temperature and pH. Overall, 3,5-bis(hexanoylamino)-2,4,6-triiodobenzoic acid represents a specialized compound with potential applications in various fields, including pharmaceuticals and materials science.

Formula: C₁₉H₂₅I₃N₂O₄

InChI: InChI=1/C19H25I3N2O4/c1-3-5-7-9-11(25)23-17-14(20)13(19(27)28)15(21)18(16(17)22)24-12(26)10-8-6-4-2/h3-10H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)

SMILES: CCCCCC(=Nc1c(c(c(c(c1I)N=C(CCCCC)O)I)C(=O)O)I)O

3,5-Dihexanamido-2,4,6-triiodo-benzoic Acid-d22

Controlled Product

CAS: 67032-31-9

Applications 3,5-Dihexanamido-2,4,6-triiodo-benzoic Acid-d22 is the isotope labelled analog of 3,5-Dihexanamido-2,4,6-triiodo-benzoic Acid (D448150); a derivative of 3,5-Diamino-2,4,6-triiodobenzoic Acid (D416820) which is a metabolite of Diatrizoate with mutagenic and cytotoxic properties.
References Kalsch, W., et al.: Sci. Total Environ., 225, 143 (1999); Parkesh, R., et al.: Org. Biomol. Chem., 4, 3611 (2006)

Formula: C₁₉H₃D₂₂I₃N₂O₄

Color and Shape: Neat

Molecular weight: 748.26

Ref: TR-D448152