Sodium 3-[[3-methyl-1-[4-(2-pyridyl)piperazine-1-carbonyl]butyl]carbamoyl]oxirane-2-carboxylate
[CAS# 84456-44-0]

Identification

• Name: Sodium 3-[[3-methyl-1-[4-(2-pyridyl)piperazine-1-carbonyl]butyl]carbamoyl]oxirane-2-carboxylate
• Synonyms: Sodium 3-[[3-Methyl-1-[4-(2-Pyridyl)Piperazine-1-Carbonyl]Butyl]Carbamoyl]Oxirane-2-Carboxylate; Sodium 3-[[[3-Methyl-1-[Oxo-[4-(2-Pyridyl)-1-Piperazinyl]Methyl]Butyl]Amino]-Oxomethyl]-2-Oxiranecarboxylate; Oxiranecarboxylic Acid, 3-(((3-Methyl-1-((4-(2-Pyridinyl)-1-Piperazinyl)Carbonyl)Butyl)Amino)Carbonhyl)-, Monosodium Salt
• Molecular Formula: C₁₉H₂₅N₄NaO₅
• Molecular Weight: 412.42
• CAS Registry Number: 84456-44-0
• SMILES: C1=CC=CN=C1N3CCN(C(=O)C(NC(=O)C2OC2C([O-])=O)CC(C)C)CC3.[Na+]
• InChI: 1S/C19H26N4O5.Na/c1-12(2)11-13(21-17(24)15-16(28-15)19(26)27)18(25)23-9-7-22(8-10-23)14-5-3-4-6-20-14;/h3-6,12-13,15-16H,7-11H2,1-2H3,(H,21,24)(H,26,27);/q;+1/p-1
• InChIKey: HJRJWEDSQJSTGS-UHFFFAOYSA-M

Properties

• Boiling point: 711.8°C at 760 mmHg (Cal.)
• Flash point: 384.3°C (Cal.)