sodium 3-acetamido-2,4-diiodo-6-methyl-5-(methylcarbamoyl)benzoate
[CAS# 17692-74-9]

Identification

• Name: sodium 3-acetamido-2,4-diiodo-6-methyl-5-(methylcarbamoyl)benzoate
• Synonyms: Benzoic Acid, 3-(Acetylamino)Diiodoiodo-(Sup 125)I-5-((Methylamino)Carbonyl)-, Monosodium Salt; Diatrizoate Sodium I 125; Glofil-125
• Molecular Formula: C₁₂H₁₁I₂N₂NaO₄
• Molecular Weight: 524.03
• CAS Registry Number: 17692-74-9
• SMILES: CC1=C(C(=C(NC(=O)C)C(=C1C(=O)NC)I)I)C([O-])=O.[Na+]
• InChI: 1S/C12H12I2N2O4.Na/c1-4-6(11(18)15-3)8(13)10(16-5(2)17)9(14)7(4)12(19)20;/h1-3H3,(H,15,18)(H,16,17)(H,19,20);/q;+1/p-1
• InChIKey: QDBYJNIFVCJIKO-UHFFFAOYSA-M

Properties

• Boiling point: 472.5°C at 760 mmHg (Cal.)
• Flash point: 239.6°C (Cal.)