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CAS 67992-58-9

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Benzoic acid, 3-[[2-[[3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodo-, sodium salt (1:1)

Description:
Benzoic acid, 3-[[2-[[3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodo-, sodium salt (1:1), with CAS number 67992-58-9, is a complex organic compound characterized by its multiple functional groups and iodine substitutions. It features a benzoic acid backbone, which contributes to its acidity and potential for forming salts. The presence of triiodinated aromatic rings suggests significant applications in imaging or therapeutic contexts, particularly in radiology or oncology, due to the high atomic number of iodine. The compound also contains various amino and acetyl groups, indicating potential for biological activity and interactions with biological systems. As a sodium salt, it is likely to be more soluble in water compared to its acid form, enhancing its utility in pharmaceutical formulations. Overall, this compound's intricate structure and functional diversity make it a subject of interest in medicinal chemistry and related fields.
Formula:C24H21I6N5O8·Na
InChI:InChI=1S/C24H21I6N5O8.Na/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43;/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);
InChI key:InChIKey=ZZIJQDVKCSWVBD-UHFFFAOYSA-N
SMILES:C(NCC(NC1=C(I)C(C(NCCO)=O)=C(I)C(C(O)=O)=C1I)=O)(=O)C2=C(I)C(N(C(C)=O)C)=C(I)C(C(NC)=O)=C2I.[Na]
Synonyms:
  • sodium 3-[(N-{3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl}glycyl)amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoate
  • Benzoic acid, 3-[[2-[[3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodo-, sodium salt (1:1)
  • Sodium ioxaglate
  • Benzoic acid, 3-[[[[3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodo-, monosodium salt
  • Ioxaglate Sodium
  • AG 63301
  • Ioxaglate sodium
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