Ioglucomide
[CAS# 63941-74-2]

Identification

• Name: Ioglucomide
• Synonyms: 2,4,6-Triiodo-N-Methyl-3,5-Bis[[(2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxy-1-Oxohexyl]Amino]Benzamide; D04576; 3,5-Bis-D-Gluconamido-2,4,6-Triiodo-N-Methylbenzamide
• Molecular Formula: C₂₀H₂₈I₃N₃O₁₃
• Molecular Weight: 899.17
• CAS Registry Number: 63941-74-2
• SMILES: [C@H](O)(C(=O)NC1=C(I)C(=C(I)C(=C1I)C(=O)NC)NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@H](O)CO
• InChI: 1S/C20H28I3N3O13/c1-24-18(37)6-7(21)10(25-19(38)16(35)14(33)12(31)4(29)2-27)9(23)11(8(6)22)26-20(39)17(36)15(34)13(32)5(30)3-28/h4-5,12-17,27-36H,2-3H2,1H3,(H,24,37)(H,25,38)(H,26,39)/t4-,5-,12-,13-,14+,15+,16-,17-/m1/s1
• InChIKey: ASFIRRNYUOVVLY-JVOWFEOISA-N

Properties

• Density: 2.415g/cm³ (Cal.)
• Boiling point: 1290.326°C at 760 mmHg (Cal.)
• Flash point: 734.163°C (Cal.)