Methylglucamine Metrizoate
[CAS# 7241-11-4]

Identification

• Name: Methylglucamine Metrizoate
• Synonyms: 3-Acetamido-5-(Acetyl-Methyl-Amino)-2,4,6-Triiodo-Benzoic Acid; 6-Methylaminohexane-1,2,3,4,5-Pentol; 3-Acetamido-5-(Ethanoyl-Methyl-Amino)-2,4,6-Triiodo-Benzoic Acid; 6-Methylaminohexane-1,2,3,4,5-Pentol; 1-Deoxy-1-(Methylamino)-D-Glucitol 3-(Acetylamino)-5-(Acetyl Methylamino)-2,4,6-Triiodobenzoate(Salt) Mixt. With 3-(Acetylamino)-5-(Acetylmethylamino)-2,4,6,- Triiodobenzoic Acid Calcium Salt (2:1)
• Molecular Formula: C₁₉H₂₈I₃N₃O₉
• Molecular Weight: 823.16
• CAS Registry Number: 7241-11-4
• EINECS: 230-641-3
• SMILES: CN(C1=C(I)C(=C(I)C(=C1I)NC(=O)C)C(=O)O)C(=O)C.C(NC)C(O)C(O)C(O)C(O)CO
• InChI: 1S/C12H11I3N2O4.C7H17NO5/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-3H3,(H,16,18)(H,20,21);4-13H,2-3H2,1H3
• InChIKey: TXKOGNLDVKUFSI-UHFFFAOYSA-N

Properties

• Boiling point: 678.8°C at 760 mmHg (Cal.)
• Flash point: 364.3°C (Cal.)