2-[[2-[[2-(Bis(Carboxymethyl)Amino)-5-Fluoro-4-Methylphenoxy]Methyl]Quinolin-8-Yl]-(Carboxymethyl)Amino]Acetic Acid
[CAS# 109024-53-5]

Identification

• Name: 2-[[2-[[2-(Bis(Carboxymethyl)Amino)-5-Fluoro-4-Methylphenoxy]Methyl]Quinolin-8-Yl]-(Carboxymethyl)Amino]Acetic Acid
• Synonyms: 2-[[2-[[2-(Bis(Carboxymethyl)Amino)-5-Fluoro-4-Methyl-Phenoxy]Methyl]-8-Quinolyl]-(Carboxymethyl)Amino]Acetic Acid; 2-[[2-[[2-(Bis(Carboxymethyl)Amino)-5-Fluoro-4-Methylphenoxy]Methyl]-8-Quinolyl]-(Carboxymethyl)Amino]Acetic Acid; 2-[[2-[[2-(Bis(Carboxymethyl)Amino)-5-Fluoro-4-Methyl-Phenoxy]Methyl]Quinolin-8-Yl]-(Carboxymethyl)Amino]Ethanoic Acid
• Molecular Formula: C₂₅H₂₄FN₃O₉
• Molecular Weight: 529.48
• CAS Registry Number: 109024-53-5
• SMILES: C1=C(N=C2C(=C1)C=CC=C2N(CC(=O)O)CC(=O)O)COC3=CC(=C(C=C3N(CC(=O)O)CC(=O)O)C)F
• InChI: 1S/C25H24FN3O9/c1-14-7-19(29(11-23(34)35)12-24(36)37)20(8-17(14)26)38-13-16-6-5-15-3-2-4-18(25(15)27-16)28(9-21(30)31)10-22(32)33/h2-8H,9-13H2,1H3,(H,30,31)(H,32,33)(H,34,35)(H,36,37)
• InChIKey: YOXJXZQOMVTVFS-UHFFFAOYSA-N

Properties

• Density: 1.546g/cm³ (Cal.)
• Boiling point: 811.445°C at 760 mmHg (Cal.)
• Flash point: 444.546°C (Cal.)