2-[N-[2,4,6-Triiodo-3-[(2-Methoxyacetyl)Amino]-5-(Methylaminocarbonyl)Benzoyl]-N-Methylamino]Acetic Acid
[CAS# 57469-58-6]

Identification

• Name: 2-[N-[2,4,6-Triiodo-3-[(2-Methoxyacetyl)Amino]-5-(Methylaminocarbonyl)Benzoyl]-N-Methylamino]Acetic Acid
• Synonyms: 2-[Methyl-[Oxo-[2,4,6-Triiodo-3-[(2-Methoxy-1-Oxoethyl)Amino]-5-(Methylcarbamoyl)Phenyl]Methyl]Amino]Acetic Acid; 2-[Methyl-[2,4,6-Triiodo-3-(2-Methoxyethanoylamino)-5-(Methylcarbamoyl)Phenyl]Carbonyl-Amino]Ethanoic Acid; Brn 2917192
• Molecular Formula: C₁₅H₁₆I₃N₃O₆
• Molecular Weight: 715.02
• CAS Registry Number: 57469-58-6
• SMILES: C(C(=O)O)N(C(C1=C(C(=C(C(=C1I)NC(=O)COC)I)C(=O)NC)I)=O)C
• InChI: 1S/C15H16I3N3O6/c1-19-14(25)8-10(16)9(15(26)21(2)4-7(23)24)12(18)13(11(8)17)20-6(22)5-27-3/h4-5H2,1-3H3,(H,19,25)(H,20,22)(H,23,24)
• InChIKey: PIQXLUBOOPIBFP-UHFFFAOYSA-N

Properties

• Density: 2.246g/cm³ (Cal.)
• Boiling point: 688.253°C at 760 mmHg (Cal.)
• Flash point: 370.042°C (Cal.)