3-[7-[[3-Carboxy-2,4,6-Triiodo-5-(Propylcarbamoyl)Phenyl]Carbamoyl]Heptanoylamino]-2,4,6-Triiodo-5-(Propylcarbamoyl)Benzoic Acid
[CAS# 10395-29-6]

Identification

• Name: 3-[7-[[3-Carboxy-2,4,6-Triiodo-5-(Propylcarbamoyl)Phenyl]Carbamoyl]Heptanoylamino]-2,4,6-Triiodo-5-(Propylcarbamoyl)Benzoic Acid
• Synonyms: 3-[[8-[[3-Carboxy-2,4,6-Triiodo-5-(Propylcarbamoyl)Phenyl]Amino]-8-Oxo-Octanoyl]Amino]-2,4,6-Triiodo-5-(Propylcarbamoyl)Benzoic Acid; 3-[[8-[[3-Carboxy-2,4,6-Triiodo-5-(Oxo-Propylaminomethyl)Phenyl]Amino]-1,8-Dioxooctyl]Amino]-2,4,6-Triiodo-5-(Oxo-Propylaminomethyl)Benzoic Acid; 3-[[8-[[3-Carboxy-2,4,6-Triiodo-5-(Propylcarbamoyl)Phenyl]Amino]-8-Keto-Octanoyl]Amino]-2,4,6-Triiodo-5-(Propylcarbamoyl)Benzoic Acid
• Molecular Formula: C₃₀H₃₂I₆N₄O₈
• Molecular Weight: 1338.03
• CAS Registry Number: 10395-29-6
• SMILES: C(C(=O)NC1=C(I)C(=C(I)C(=C1I)C(=O)O)C(=O)NCCC)CCCCCC(=O)NC2=C(I)C(=C(I)C(=C2I)C(=O)O)C(=O)NCCC
• InChI: 1S/C30H32I6N4O8/c1-3-11-37-27(43)15-19(31)17(29(45)46)23(35)25(21(15)33)39-13(41)9-7-5-6-8-10-14(42)40-26-22(34)16(28(44)38-12-4-2)20(32)18(24(26)36)30(47)48/h3-12H2,1-2H3,(H,37,43)(H,38,44)(H,39,41)(H,40,42)(H,45,46)(H,47,48)
• InChIKey: WWMQPIVGWJJURC-UHFFFAOYSA-N

Properties

• Density: 2.28g/cm³ (Cal.)
• Boiling point: 903.963°C at 760 mmHg (Cal.)
• Flash point: 500.499°C (Cal.)