Tetrasodium 2-[[6-[6-[6-[[Bis(2-Oxido-2-Oxoethyl)Amino]Methyl]Pyridin-2-Yl]-4-(3-Isothiocyanato-4-Methoxyphenyl)Pyridin-2-Yl]Pyridin-2-Yl]Methyl-(2-Oxido-2-Oxoethyl)Amino]Acetate
[CAS# 157837-77-9]

Identification

• Name: Tetrasodium 2-[[6-[6-[6-[[Bis(2-Oxido-2-Oxoethyl)Amino]Methyl]Pyridin-2-Yl]-4-(3-Isothiocyanato-4-Methoxyphenyl)Pyridin-2-Yl]Pyridin-2-Yl]Methyl-(2-Oxido-2-Oxoethyl)Amino]Acetate
• Synonyms: Tetrasodium 2-[[6-[6-[6-[[Bis(2-Oxido-2-Oxo-Ethyl)Amino]Methyl]-2-Pyridyl]-4-(3-Isothiocyanato-4-Methoxy-Phenyl)-2-Pyridyl]-2-Pyridyl]Methyl-(2-Oxido-2-Oxo-Ethyl)Amino]Acetate; Tetrasodium 2-[[6-[6-[6-[[Bis(2-Oxido-2-Oxoethyl)Amino]Methyl]-2-Pyridyl]-4-(3-Isothiocyanato-4-Methoxyphenyl)-2-Pyridyl]-2-Pyridyl]Methyl-(2-Oxido-2-Oxoethyl)Amino]Acetate; Tetrasodium 2-[[6-[6-[6-[[Bis(2-Keto-2-Oxido-Ethyl)Amino]Methyl]-2-Pyridyl]-4-(3-Isothiocyanato-4-Methoxy-Phenyl)-2-Pyridyl]-2-Pyridyl]Methyl-(2-Keto-2-Oxido-Ethyl)Amino]Acetate
• Molecular Formula: C₃₃H₂₆N₆Na₄O₉S
• Molecular Weight: 774.62
• CAS Registry Number: 157837-77-9
• SMILES: S=C=NC1=CC(=CC=C1OC)C2=CC(=NC(=C2)C3=NC(=CC=C3)CN(CC([O-])=O)CC([O-])=O)C4=NC(=CC=C4)CN(CC([O-])=O)CC([O-])=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C33H30N6O9S.4Na/c1-48-29-9-8-20(10-28(29)34-19-49)21-11-26(24-6-2-4-22(35-24)13-38(15-30(40)41)16-31(42)43)37-27(12-21)25-7-3-5-23(36-25)14-39(17-32(44)45)18-33(46)47;;;;/h2-12H,13-18H2,1H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47);;;;/q;4*+1/p-4
• InChIKey: UAFBBLZEQSKFBK-UHFFFAOYSA-J

Properties

• Boiling point: 918.1°C at 760 mmHg (Cal.)
• Flash point: 509°C (Cal.)