3-[8-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Phenyl]Carbamoyl]Octanoylamino]-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Benzoic Acid
[CAS# 26090-50-6]

Identification

• Name: 3-[8-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Phenyl]Carbamoyl]Octanoylamino]-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Benzoic Acid
• Synonyms: 3-[[9-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Phenyl]Amino]-9-Oxo-Nonanoyl]Amino]-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Benzoic Acid; 3-[[9-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Oxo-1-Pyrrolidinyl)Methyl]Phenyl]Amino]-1,9-Dioxononyl]Amino]-2,4,6-Triiodo-5-[(2-Oxo-1-Pyrrolidinyl)Methyl]Benzoic Acid; 3-[[9-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Ketopyrrolidin-1-Yl)Methyl]Phenyl]Amino]-9-Keto-Nonanoyl]Amino]-2,4,6-Triiodo-5-[(2-Ketopyrrolidin-1-Yl)Methyl]Benzoic Acid
• Molecular Formula: C₃₃H₃₄I₆N₄O₈
• Molecular Weight: 1376.08
• CAS Registry Number: 26090-50-6
• SMILES: C(N1C(=O)CCC1)C2=C(I)C(=C(I)C(=C2I)C(=O)O)NC(=O)CCCCCCCC(=O)NC3=C(I)C(=C(I)C(=C3I)CN4C(=O)CCC4)C(=O)O
• InChI: 1S/C33H34I6N4O8/c34-24-16(14-42-12-6-10-20(42)46)26(36)30(28(38)22(24)32(48)49)40-18(44)8-4-2-1-3-5-9-19(45)41-31-27(37)17(15-43-13-7-11-21(43)47)25(35)23(29(31)39)33(50)51/h1-15H2,(H,40,44)(H,41,45)(H,48,49)(H,50,51)
• InChIKey: UIXGQHGQJYKCFU-UHFFFAOYSA-N

Properties

• Density: 2.345g/cm³ (Cal.)
• Boiling point: 1098.848°C at 760 mmHg (Cal.)
• Flash point: 618.361°C (Cal.)