N-(3-Acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, (3-acetamido-5-methylcarbamoyl-2,4,6-triiodo)-D-Glucammonium benzoate
[CAS# 71746-20-8]

Identification

• Name: N-(3-Acetamido-5-(methylcarbamoyl)-2,4,6-triiodobenzyl)-N-(2,3-dihydroxypropyl)-N-methyl-, (3-acetamido-5-methylcarbamoyl-2,4,6-triiodo)-D-Glucammonium benzoate
• Synonyms: 3-Acetamido-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid; [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; 3-Acetamido-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid; [3-Acetamido-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzyl]-Glyceryl-Methyl-[(2S,3R,4R,5R)-2,3,4,5,6-Pentahydroxyhexyl]Ammonium; D-Glucammonium, N-(3-Acetamido-5-(Methylcarbamoyl)-2,4,6-Triiodobenzyl)-N-(2,3-Dihydroxypropyl)-N-Methyl-, (3-Acetamido-5-Methylcarbamoyl-2,4,6-Triiodo)-, Benzoate
• Molecular Formula: C₃₂H₄₂I₆N₅O₁₃
• Molecular Weight: 1466.14
• CAS Registry Number: 71746-20-8
• SMILES: [C@@H](C[N+](C)(CC(CO)O)CC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)NC)I)(O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC(C2=C(C(=C(C(=C2I)C(=O)O)I)NC(=O)C)I)=O
• InChI: 1S/C21H32I3N3O9.C11H9I3N2O4/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;1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h10,12-13,19-20,28-29,31-35H,4-8H2,1-3H3,(H-,25,26,30,36);1-2H3,(H,15,18)(H,16,17)(H,19,20)/p+1/t10?,12-,13+,19+,20+,27?;/m0./s1
• InChIKey: YOEUMKLGCHZMPT-CKOJLFTCSA-O