Ioglycamic acid N-methylglucamine
[CAS# 14317-18-1]

Identification

• Name: Ioglycamic acid N-methylglucamine
• Synonyms: 3-[[2-[2-[(3-Carboxy-2,4,6-Triiodo-Phenyl)Amino]-2-Oxo-Ethoxy]Acetyl]Amino]-2,4,6-Triiodo-Benzoic Acid; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; 3-[[2-[2-[(3-Carboxy-2,4,6-Triiodophenyl)Amino]-2-Oxoethoxy]-1-Oxoethyl]Amino]-2,4,6-Triiodobenzoic Acid; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; 3-[[2-[2-[(3-Carboxy-2,4,6-Triiodo-Phenyl)Amino]-2-Keto-Ethoxy]Acetyl]Amino]-2,4,6-Triiodo-Benzoic Acid; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol
• Molecular Formula: C₃₂H₄₄I₆N₄O₁₇
• Molecular Weight: 1518.14
• CAS Registry Number: 14317-18-1
• SMILES: [C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)CNC.[C@H](O)([C@H](O)[C@H](O)CO)[C@@H](O)CNC.C1=C(I)C(=C(I)C(=C1I)C(=O)O)NC(=O)COCC(=O)NC2=C(I)C(=C(I)C=C2I)C(=O)O
• InChI: 1S/C18H10I6N2O7.2C7H17NO5/c19-5-1-7(21)15(13(23)11(5)17(29)30)25-9(27)3-33-4-10(28)26-16-8(22)2-6(20)12(14(16)24)18(31)32;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H,3-4H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32);2*4-13H,2-3H2,1H3/t;2*4-,5+,6+,7+/m.00/s1
• InChIKey: HHFDMOXEMINUNX-VRWDCWMNSA-N

Properties

• Boiling point: 901.5°C at 760 mmHg (Cal.)
• Flash point: 499°C (Cal.)