3-[6-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Phenyl]Carbamoyl]Hexanoylamino]-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Benzoic Acid
[CAS# 26090-52-8]

Identification

• Name: 3-[6-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Phenyl]Carbamoyl]Hexanoylamino]-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Benzoic Acid
• Synonyms: 3-[[7-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Phenyl]Amino]-7-Oxo-Heptanoyl]Amino]-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Benzoic Acid; 3-[[7-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Oxo-1-Pyrrolidinyl)Methyl]Phenyl]Amino]-1,7-Dioxoheptyl]Amino]-2,4,6-Triiodo-5-[(2-Oxo-1-Pyrrolidinyl)Methyl]Benzoic Acid; 3-[[7-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Ketopyrrolidin-1-Yl)Methyl]Phenyl]Amino]-7-Keto-Heptanoyl]Amino]-2,4,6-Triiodo-5-[(2-Ketopyrrolidin-1-Yl)Methyl]Benzoic Acid
• Molecular Formula: C₃₁H₃₀I₆N₄O₈
• Molecular Weight: 1348.03
• CAS Registry Number: 26090-52-8
• SMILES: C(N1C(=O)CCC1)C2=C(I)C(=C(I)C(=C2I)C(=O)O)NC(=O)CCCCCC(=O)NC3=C(I)C(=C(I)C(=C3I)CN4C(=O)CCC4)C(=O)O
• InChI: 1S/C31H30I6N4O8/c32-22-14(12-40-10-4-8-18(40)44)24(34)28(26(36)20(22)30(46)47)38-16(42)6-2-1-3-7-17(43)39-29-25(35)15(13-41-11-5-9-19(41)45)23(33)21(27(29)37)31(48)49/h1-13H2,(H,38,42)(H,39,43)(H,46,47)(H,48,49)
• InChIKey: XDBXTDURSCEOFR-UHFFFAOYSA-N

Properties

• Density: 2.434g/cm³ (Cal.)
• Boiling point: 1094.585°C at 760 mmHg (Cal.)
• Flash point: 615.783°C (Cal.)