3-[7-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Phenyl]Carbamoyl]Heptanoylamino]-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Benzoic Acid
[CAS# 26090-49-3]

Identification

• Name: 3-[7-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Phenyl]Carbamoyl]Heptanoylamino]-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Benzoic Acid
• Synonyms: 3-[[8-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Phenyl]Amino]-8-Oxo-Octanoyl]Amino]-2,4,6-Triiodo-5-[(2-Oxopyrrolidin-1-Yl)Methyl]Benzoic Acid; 3-[[8-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Oxo-1-Pyrrolidinyl)Methyl]Phenyl]Amino]-1,8-Dioxooctyl]Amino]-2,4,6-Triiodo-5-[(2-Oxo-1-Pyrrolidinyl)Methyl]Benzoic Acid; 3-[[8-[[3-Carboxy-2,4,6-Triiodo-5-[(2-Ketopyrrolidin-1-Yl)Methyl]Phenyl]Amino]-8-Keto-Octanoyl]Amino]-2,4,6-Triiodo-5-[(2-Ketopyrrolidin-1-Yl)Methyl]Benzoic Acid
• Molecular Formula: C₃₂H₃₂I₆N₄O₈
• Molecular Weight: 1362.05
• CAS Registry Number: 26090-49-3
• SMILES: C(N1C(=O)CCC1)C2=C(I)C(=C(I)C(=C2I)NC(=O)CCCCCCC(=O)NC3=C(I)C(=C(I)C(=C3I)CN4C(=O)CCC4)C(=O)O)C(=O)O
• InChI: 1S/C32H32I6N4O8/c33-23-15(13-41-11-5-9-19(41)45)25(35)29(27(37)21(23)31(47)48)39-17(43)7-3-1-2-4-8-18(44)40-30-26(36)16(14-42-12-6-10-20(42)46)24(34)22(28(30)38)32(49)50/h1-14H2,(H,39,43)(H,40,44)(H,47,48)(H,49,50)
• InChIKey: DTKCYDVNOMKMKW-UHFFFAOYSA-N

Properties

• Density: 2.388g/cm³ (Cal.)
• Boiling point: 1096.572°C at 760 mmHg (Cal.)
• Flash point: 616.985°C (Cal.)