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CAS 60166-92-9

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1,3-Benzenedicarboxamide, 5-[[(2S)-2-(acetyloxy)-1-oxopropyl]amino]-N,N′-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-

Description:
1,3-Benzenedicarboxamide, 5-[[(2S)-2-(acetyloxy)-1-oxopropyl]amino]-N,N′-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo- is a complex organic compound characterized by its multiple functional groups, including amide, hydroxyl, and acetoxy moieties. The presence of iodine atoms in its structure suggests potential applications in imaging or therapeutic contexts, particularly in radiology or nuclear medicine. The compound's solubility and stability can be influenced by the hydroxymethyl and hydroxy groups, which may enhance its interaction with biological systems. Its molecular structure indicates potential for hydrogen bonding, which could affect its physical properties such as melting point and solubility in various solvents. Additionally, the presence of the benzenedicarboxamide framework may contribute to its biological activity, making it a candidate for further research in medicinal chemistry. Overall, this compound's unique combination of functional groups and halogen substituents positions it as a potentially valuable substance in both research and application within the fields of chemistry and pharmacology.
Formula:C19H24I3N3O9
InChI:InChI=1S/C19H24I3N3O9/c1-7(34-8(2)30)17(31)25-16-14(21)11(18(32)23-9(3-26)4-27)13(20)12(15(16)22)19(33)24-10(5-28)6-29/h7,9-10,26-29H,3-6H2,1-2H3,(H,23,32)(H,24,33)(H,25,31)/t7-/m0/s1
InChI key:InChIKey=QQRCHDDLZAECOQ-ZETCQYMHSA-N
SMILES:C(NC(CO)CO)(=O)C1=C(I)C(C(NC(CO)CO)=O)=C(I)C(NC([C@@H](OC(C)=O)C)=O)=C1I
Synonyms:
  • (2S)-1-({3,5-Bis[(1,3-dihydroxypropan-2-yl)carbamoyl]-2,4,6-triiodophenyl}amino)-1-oxopropan-2-yl acetate
  • 1,3-Benzenedicarboxamide, 5-[[(2S)-2-(acetyloxy)-1-oxopropyl]amino]-N,N′-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-
  • 1,3-Benzenedicarboxamide, 5-[[2-(acetyloxy)-1-oxopropyl]amino]-N,N′-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-, (S)-
  • 1,3-benzenedicarboxamide, 5-[[(2S)-2-(acetyloxy)-1-oxopropyl]amino]-N~1~,N~3~-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-
  • Acetic acid (S)-1-[[3,5-bis[(1,3-dihydroxypropan-2-yl)carbamoyl]-2,4,6-triiodophenyl]amino]-1-oxopropan-2-yl ester
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