Ioseric Acid
[CAS# 51876-99-4]

Identification

• Name: Ioseric Acid
• Synonyms: 3-[[1-(Hydroxymethyl)-2-Methylamino-2-Oxo-Ethyl]Carbamoyl]-2,4,6-Triiodo-5-[(2-Methoxyacetyl)Amino]Benzoic Acid; 3-[[[1-(Hydroxymethyl)-2-Methylamino-2-Oxoethyl]Amino]-Oxomethyl]-2,4,6-Triiodo-5-[(2-Methoxy-1-Oxoethyl)Amino]Benzoic Acid; 2,4,6-Triiodo-3-[(2-Keto-2-Methylamino-1-Methylol-Ethyl)Carbamoyl]-5-[(2-Methoxyacetyl)Amino]Benzoic Acid
• Molecular Formula: C₁₅H₁₆I₃N₃O₇
• Molecular Weight: 731.02
• CAS Registry Number: 51876-99-4
• EINECS: 257-490-6
• SMILES: C(C(NC(C1=C(C(=C(C(=C1I)NC(COC)=O)I)C(O)=O)I)=O)C(NC)=O)O
• InChI: 1S/C15H16I3N3O7/c1-19-13(24)5(3-22)20-14(25)7-9(16)8(15(26)27)11(18)12(10(7)17)21-6(23)4-28-2/h5,22H,3-4H2,1-2H3,(H,19,24)(H,20,25)(H,21,23)(H,26,27)
• InChIKey: NPCYYZYVQAQDBM-UHFFFAOYSA-N

Properties

• Density: 2.3g/cm³ (Cal.)
• Boiling point: 712.028°C at 760 mmHg (Cal.)
• Flash point: 384.421°C (Cal.)