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CAS 13087-53-1

:

D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate (1:1)

Description:
D-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate (1:1), commonly known by its CAS number 13087-53-1, is a chemical compound characterized by its complex structure that includes multiple functional groups. This substance features a glucitol backbone, which is a sugar alcohol, modified with methylamino and acetylamino groups, as well as a triiodobenzoate moiety. The presence of iodine atoms in its structure suggests potential applications in medical imaging or as a contrast agent due to the high atomic number of iodine, which enhances radiopacity. The methylamino groups may contribute to its solubility and reactivity, while the acetylamino group can influence its biological activity. Overall, this compound's unique combination of sugar alcohol and iodine-containing moieties makes it of interest in both pharmaceutical and biochemical research, particularly in the development of diagnostic agents or therapeutic compounds. Its specific properties, such as solubility, stability, and reactivity, would depend on the conditions under which it is studied.
Formula:C11H9I3N2O4·C7H17NO5
InChI:InChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,18)(H,16,17)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
InChI key:InChIKey=VLHUSFYMPUDOEL-WZTVWXICSA-N
SMILES:[C@H]([C@@H]([C@@H](CO)O)O)([C@H](CNC)O)O.C(NC)(=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
Synonyms:
  • 3-(Acetylamino)-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid - 1-Deoxy-1-(Methylamino)Hexitol (1:1)
  • 3-(acetylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid - 1-deoxy-1-(methylamino)-D-glucitol (1:1)
  • 5-Acetamido-2,4,6-triiodo-N-methylisophthalamic acid-methylglucamine
  • <span class="text-smallcaps">D</span>-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate (1:1)
  • <span class="text-smallcaps">D</span>-Glucitol, 1-deoxy-1-(methylamino)-, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate (salt)
  • Benzoic acid, 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]-, compd. with 1-deoxy-1-(methylamino)-<span class="text-smallcaps">D</span>-glucitol (1:1)
  • Conray
  • Conray 280
  • Conray 30
  • Conray 60
  • See more synonyms
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