Ioglunide
[CAS# 56562-79-9]

Identification

• Name: Ioglunide
• Synonyms: 3-(Acetyl-Methyl-Amino)-N-(2-Hydroxyethyl)-2,4,6-Triiodo-5-[[(2S,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoyl]Amino]Benzamide; 3-(Acetyl-Methylamino)-N-(2-Hydroxyethyl)-2,4,6-Triiodo-5-[[(2S,3S,4R,5R)-2,3,4,5,6-Pentahydroxy-1-Oxohexyl]Amino]Benzamide; 3-(Ethanoyl-Methyl-Amino)-N-(2-Hydroxyethyl)-2,4,6-Triiodo-5-[[(2S,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanoyl]Amino]Benzamide
• Molecular Formula: C₁₈H₂₄I₃N₃O₉
• Molecular Weight: 807.12
• CAS Registry Number: 56562-79-9
• SMILES: [C@@H](C(NC1=C(C(=C(C(=C1I)C(NCCO)=O)I)N(C(C)=O)C)I)=O)([C@H]([C@@H]([C@@H](CO)O)O)O)O
• InChI: 1S/C18H24I3N3O9/c1-6(27)24(2)13-10(20)8(17(32)22-3-4-25)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)/t7-,14-,15+,16+/m1/s1
• InChIKey: ODYPLCHSCOJEIZ-GMYJMXFCSA-N

Properties

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