Sodium 3-Acetamido-5-(2-Hydroxyethylcarbamoyl)-2,4,6-Triiodobenzoate
[CAS# 33954-26-6]

Identification

• Name: Sodium 3-Acetamido-5-(2-Hydroxyethylcarbamoyl)-2,4,6-Triiodobenzoate
• Synonyms: Sodium 3-Acetamido-5-(2-Hydroxyethylcarbamoyl)-2,4,6-Triiodo-Benzoate; Sodium 3-Acetamido-5-[(2-Hydroxyethylamino)-Oxomethyl]-2,4,6-Triiodobenzoate; Benzoic Acid, 3-(Acetylamino)-5-(((2-Hydroxyethyl)Amino)Carbonyl)-2,4,6-Triiodo-, Monosodium Salt
• Molecular Formula: C₁₂H₁₀I₃N₂NaO₅
• Molecular Weight: 665.92
• CAS Registry Number: 33954-26-6
• SMILES: C(NC(=O)C1=C(I)C(=C(I)C(=C1I)NC(=O)C)C([O-])=O)CO.[Na+]
• InChI: 1S/C12H11I3N2O5.Na/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22;/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22);/q;+1/p-1
• InChIKey: PZTAFRMXSAAHMQ-UHFFFAOYSA-M

Properties

• Boiling point: 582.8°C at 760 mmHg (Cal.)
• Flash point: 306.3°C (Cal.)