Nicofurate
[CAS# 4397-91-5]

Identification

• Name: Nicofurate
• Synonyms: [1-[(4-Methoxycarbonyl-5-Methyl-2-Furyl)-(Pyridine-3-Carbonyloxy)Methyl]-2,3-Bis(Pyridine-3-Carbonyloxy)Propyl] Pyridine-3-Carboxylate; 3-Pyridinecarboxylic Acid [1-[(4-Methoxycarbonyl-5-Methyl-2-Furyl)-[Oxo-(3-Pyridyl)Methoxy]Methyl]-2,3-Bis[Oxo-(3-Pyridyl)Methoxy]Propyl] Ester; Nicotinic Acid [1-[(4-Carbomethoxy-5-Methyl-2-Furyl)-(Pyridine-3-Carbonyloxy)Methyl]-2,3-Bis(Pyridine-3-Carbonyloxy)Propyl] Ester
• Molecular Formula: C₃₅H₂₈N₄O₁₁
• Molecular Weight: 680.63
• CAS Registry Number: 4397-91-5
• SMILES: C5=C(C(C(C(OC(C1=CN=CC=C1)=O)COC(=O)C2=CC=CN=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4)OC(=C5C(OC)=O)C
• InChI: 1S/C35H28N4O11/c1-21-26(35(44)45-2)15-27(47-21)29(49-33(42)24-9-5-13-38-18-24)30(50-34(43)25-10-6-14-39-19-25)28(48-32(41)23-8-4-12-37-17-23)20-46-31(40)22-7-3-11-36-16-22/h3-19,28-30H,20H2,1-2H3
• InChIKey: BNYZXONJFQJYPC-UHFFFAOYSA-N

Properties

• Density: 1.373g/cm³ (Cal.)
• Boiling point: 838.687°C at 760 mmHg (Cal.)
• Flash point: 461.021°C (Cal.)