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CAS 154361-51-0

:

5-Amino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1-methyl-1,3-benzenedicarboxamide

Description:
5-Amino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1-methyl-1,3-benzenedicarboxamide, with CAS number 154361-51-0, is a chemical compound characterized by its complex structure, which includes multiple functional groups such as amino, hydroxyl, and carboxamide. This compound features a benzene ring substituted with three iodine atoms, contributing to its potential use in medical imaging as a radiocontrast agent due to the high atomic number of iodine, which enhances X-ray absorption. The presence of dihydroxypropyl groups suggests solubility in polar solvents, which may facilitate its interaction with biological systems. Additionally, the compound's amine and carboxamide functionalities indicate potential for hydrogen bonding, influencing its reactivity and stability. Its unique combination of iodine substitution and hydroxyl groups may also impart specific biological activities, making it of interest in pharmaceutical applications. Overall, this compound exemplifies the intricate relationship between chemical structure and functional properties in medicinal chemistry.
Formula:C15H20I3N3O6
InChI:InChI=1S/C15H20I3N3O6/c1-21(3-7(25)5-23)15(27)9-10(16)8(11(17)13(19)12(9)18)14(26)20-2-6(24)4-22/h6-7,22-25H,2-5,19H2,1H3,(H,20,26)
InChI key:InChIKey=FTNNWQKXUALWMW-UHFFFAOYSA-N
SMILES:C(N(CC(CO)O)C)(=O)C1=C(I)C(C(NCC(CO)O)=O)=C(I)C(N)=C1I
Synonyms:
  • 5-Amino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1-methyl-1,3-benzenedicarboxamide
  • 1,3-Benzenedicarboxamide, 5-amino-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N-methyl-
  • 1,3-Benzenedicarboxamide, 5-amino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N1-methyl-
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