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CAS 122731-59-3

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

Description:
3-Amino-5-[[[2,3-bis(acetyloxy)propyl]amino]carbonyl]-2,4,6-triiodobenzoic acid, with CAS number 122731-59-3, is a complex organic compound characterized by its multiple functional groups and iodine substitutions. This substance features a triiodobenzoic acid core, which contributes to its potential applications in medical imaging and as a contrast agent due to the high atomic number of iodine. The presence of amino and acetyloxy groups indicates that it may exhibit both basic and ester functionalities, which can influence its solubility and reactivity. The acetyloxy groups suggest that the compound may be involved in esterification reactions, while the amino group can participate in nucleophilic substitutions. The overall structure implies that it may have biological activity, potentially interacting with various biological targets. Its synthesis and stability under different conditions would be critical for its application in pharmaceuticals or as a research tool. As with many iodine-containing compounds, it may also exhibit unique spectroscopic properties, making it useful in analytical chemistry.
Formula:C15H15I3N2O7
InChI:InChI=1S/C15H15I3N2O7/c1-5(21)26-4-7(27-6(2)22)3-20-14(23)8-10(16)9(15(24)25)12(18)13(19)11(8)17/h7H,3-4,19H2,1-2H3,(H,20,23)(H,24,25)
InChI key:InChIKey=ZNLVMZLCIIIYPV-UHFFFAOYSA-N
SMILES:C(NCC(COC(C)=O)OC(C)=O)(=O)C1=C(I)C(C(O)=O)=C(I)C(N)=C1I
Synonyms:
  • Benzoic acid, 3-amino-5-[[[2,3-bis(acetyloxy)propyl]amino]carbonyl]-2,4,6-triiodo-
  • 3-Amino-5-[[[2,3-bis(acetyloxy)propyl]amino]carbonyl]-2,4,6-triiodobenzoic acid
  • 3-Amino-5-((2,3-diacetoxypropyl)carbamoyl)-2,4,6-triiodobenzoic acid
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