Ioglucol
[CAS# 63941-73-1]

Identification

• Name: Ioglucol
• Synonyms: 3-(Acetyl-(2-Hydroxyethyl)Amino)-2,4,6-Triiodo-N-Methyl-5-[(2,3,4,5,6-Pentahydroxy-1-Oxohexyl)Amino]Benzamide; 3-(Ethanoyl-(2-Hydroxyethyl)Amino)-2,4,6-Triiodo-N-Methyl-5-(2,3,4,5,6-Pentahydroxyhexanoylamino)Benzamide; D-Gluconamide, N-(3-(Acetyl(2-Hydroxyethyl)Amino)-2,4,6-Triiodo-5((Methylamino)Carbonyl)Phenyl)-
• Molecular Formula: C₁₈H₂₄I₃N₃O₉
• Molecular Weight: 807.12
• CAS Registry Number: 63941-73-1
• SMILES: C(N(C1=C(C(=C(I)C(=C1I)C(NC)=O)NC(C(C(C(C(CO)O)O)O)O)=O)I)C(C)=O)CO
• InChI: 1S/C18H24I3N3O9/c1-6(27)24(3-4-25)13-10(20)8(17(32)22-2)9(19)12(11(13)21)23-18(33)16(31)15(30)14(29)7(28)5-26/h7,14-16,25-26,28-31H,3-5H2,1-2H3,(H,22,32)(H,23,33)
• InChIKey: MKMHLTWTZQIVCH-UHFFFAOYSA-N

Properties

• Density: 2.308g/cm³ (Cal.)
• Boiling point: 1048.322°C at 760 mmHg (Cal.)
• Flash point: 587.804°C (Cal.)