3-Acetamido-2,4,6-Triiodo-Benzoate
[CAS# 22154-43-4]

Identification

• Name: 3-Acetamido-2,4,6-Triiodo-Benzoate
• Synonyms: 3-Acetamido-2,4,6-Triiodo-Benzoate; (2R,3R,4R,5S)-6-Methylaminohexane-1,2,3,4,5-Pentol; Acetrizoate De Methylglucamine [French]; Acetrizoate Meglumine
• Molecular Formula: C₁₆H₂₂I₃N₂O₈
• Molecular Weight: 751.07
• CAS Registry Number: 22154-43-4
• SMILES: [C@H](CNC)([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=C(C(=C(C(=C1I)C(=O)[O-])I)NC(=O)C)I
• InChI: 1S/C9H6I3NO3.C7H17NO5/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16;1-8-2-4(10)6(12)7(13)5(11)3-9/h2H,1H3,(H,13,14)(H,15,16);4-13H,2-3H2,1H3/p-1/t;4-,5+,6+,7+/m.0/s1
• InChIKey: CUNJTOHTJOOFJQ-WZTVWXICSA-M

Properties

• Boiling point: 547.1°C at 760 mmHg (Cal.)
• Flash point: 284.7°C (Cal.)