N-(3-Acetamido-5-(Methylcarbamoyl)-2,4,6-Triiodobenzyl )-N-(2,3-Dihydroxypropyl)-N-Methyl-D-Glucammonium Chloride
[CAS# 71746-11-7]

Identification

• Name: N-(3-Acetamido-5-(Methylcarbamoyl)-2,4,6-Triiodobenzyl )-N-(2,3-Dihydroxypropyl)-N-Methyl-D-Glucammonium Chloride
• Synonyms: [3-Acetamido-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Methyl-(2,3-Dihydroxypropyl)-Methyl-[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]Ammonium Chloride; [3-Acetamido-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzyl]-Glyceryl-Methyl-[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]Ammonium Chloride; D-Glucammonium, N-(3-Acetamido-5-(Methylcarbamoyl)-2,4,6-Triiodobenzyl)-N-(2,3-Dihydroxypropyl)-N-Methyl-, Chloride
• Molecular Formula: C₂₁H₃₃ClI₃N₃O₉
• Molecular Weight: 887.67
• CAS Registry Number: 71746-11-7
• SMILES: [C@H](O)([C@H](O)[C@@H](O)C[N+](CC(O)CO)(CC1=C(I)C(=C(I)C(=C1I)NC(=O)C)C(=O)NC)C)[C@H](O)CO.[Cl-]
• InChI: 1S/C21H32I3N3O9.ClH/c1-9(30)26-18-16(23)11(15(22)14(17(18)24)21(36)25-2)5-27(3,4-10(31)7-28)6-12(32)19(34)20(35)13(33)8-29;/h10,12-13,19-20,28-29,31-35H,4-8H2,1-3H3,(H-,25,26,30,36);1H/t10?,12-,13+,19+,20+,27?;/m0./s1
• InChIKey: PUVYNKNURRAWLH-CKOJLFTCSA-N