Ioxaglic Acid

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Properties Simple | Detailed

Formula C24H21I6N5O8
IUPAC Name 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid
Molecular Mass 1268.879 g·mol−1
Heat of Formation -752.0 ± 16.7 kJ·mol−1
Dipole Moment 4.11 ± 1.08 D
Volume 810.62 Å 3
Surface Area 604.64 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[2-[[3-(ethanoyl-methyl-amino)-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]carbonylamino]ethanoylamino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid
  • 3-[[2-[[3-(acetyl-methyl-amino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodo-benzoic acid
  • 3-[[2-[[[3-(acetyl-methylamino)-2,4,6-triiodo-5-(methylcarbamoyl)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-5-[(2-hydroxyethylamino)-oxomethyl]-2,4,6-triiodobenzoic acid
  • 3-{[n-({3-[acetyl(methyl)amino]-2,4,6-triiodo-5-[(methylamino)carbonyl]phenyl}carbonyl)glycyl]amino}-5-{[(2-hydroxyethyl)amino]carbonyl}-2,4,6-triiodobenzoic acid
  • benzoic acid, 3-((((3-(acetylmethylamino)-2,4,6-triiodo-5-((methylamino)carbonyl
  • 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-
  • bpbio1_001150
  • d01761
  • hexabrix 160
  • hexabrix 320
  • ioxaglic acid (jan/usp)
  • n-(2-hydroxyethyl)-2,4,6-triiodo-5-(2-(2,4,6-triiodo-3-(n-methylacetamido)-5-(methylcarbamoyl)benzamido)acetamido)isophthalamic acid
  • p 286
  • p 286 (contrast medium)
CAS Number(s)
  • 59017-64-0
InChIKey TYYBFXNZMFNZJT-UHFFFAOYSA-N
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