Sodium Metrizoate
[CAS# 7225-61-8]

Identification

• Name: Sodium Metrizoate
• Synonyms: Sodium 3-Acetamido-5-(Acetyl-Methyl-Amino)-2,4,6-Triiodo-Benzoate; Sodium 3-Acetamido-5-(Ethanoyl-Methyl-Amino)-2,4,6-Triiodo-Benzoate; Metrizoate Sodium [Usan]
• Molecular Formula: C₁₂H₁₀I₃N₂NaO₄
• Molecular Weight: 649.93
• CAS Registry Number: 7225-61-8
• EINECS: 230-624-0
• SMILES: CN(C1=C(C(=C(C(=C1I)NC(C)=O)I)C(=O)[O-])I)C(C)=O.[Na+]
• InChI: 1S/C12H11I3N2O4.Na/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19;/h1-3H3,(H,16,18)(H,20,21);/q;+1/p-1
• InChIKey: UKIYDXCFKFLIMU-UHFFFAOYSA-M

Properties

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