3-[7-[[3-Carboxy-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Carbamoyl]Heptanoylamino]-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid
[CAS# 10397-76-9]

Identification

• Name: 3-[7-[[3-Carboxy-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Carbamoyl]Heptanoylamino]-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid
• Synonyms: 3-[[8-[[3-Carboxy-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Amino]-8-Oxo-Octanoyl]Amino]-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid; 3-[[8-[[3-Carboxy-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Amino]-1,8-Dioxooctyl]Amino]-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid; 3-[[8-[[3-Carboxy-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Amino]-8-Keto-Octanoyl]Amino]-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoic Acid
• Molecular Formula: C₂₆H₂₄I₆N₄O₈
• Molecular Weight: 1281.92
• CAS Registry Number: 10397-76-9
• SMILES: C(C(=O)NC1=C(I)C(=C(I)C(=C1I)C(=O)NC)C(=O)O)CCCCCC(=O)NC2=C(I)C(=C(I)C(=C2I)C(=O)NC)C(=O)O
• InChI: 1S/C26H24I6N4O8/c1-33-23(39)11-15(27)13(25(41)42)19(31)21(17(11)29)35-9(37)7-5-3-4-6-8-10(38)36-22-18(30)12(24(40)34-2)16(28)14(20(22)32)26(43)44/h3-8H2,1-2H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)(H,41,42)(H,43,44)
• InChIKey: YKUMCWOEENHSDD-UHFFFAOYSA-N

Properties

• Density: 2.462g/cm³ (Cal.)
• Boiling point: 879.668°C at 760 mmHg (Cal.)
• Flash point: 485.806°C (Cal.)