Sodium 3-[[1-(4-Benzhydrylpiperazin-1-Yl)-4-Methyl-1-Oxo-Pentan-2-Yl]Carbamoyl]Oxirane-2-Carboxylate
[CAS# 84456-38-2]

Identification

• Name: Sodium 3-[[1-(4-Benzhydrylpiperazin-1-Yl)-4-Methyl-1-Oxo-Pentan-2-Yl]Carbamoyl]Oxirane-2-Carboxylate
• Synonyms: Sodium 3-[[1-(4-Benzhydrylpiperazine-1-Carbonyl)-3-Methyl-Butyl]Carbamoyl]Oxirane-2-Carboxylate; Sodium 3-[[[1-[(4-Benzhydryl-1-Piperazinyl)-Oxomethyl]-3-Methylbutyl]Amino]-Oxomethyl]-2-Oxiranecarboxylate; Sodium 3-[[1-(4-Benzhydrylpiperazin-1-Yl)-4-Methyl-1-Oxo-Pentan-2-Yl]Carbamoyl]Oxirane-2-Carboxylate
• Molecular Formula: C₂₇H₃₂N₃NaO₅
• Molecular Weight: 501.56
• CAS Registry Number: 84456-38-2
• SMILES: C4=C(C(N2CCN(C(=O)C(NC(=O)C1OC1C([O-])=O)CC(C)C)CC2)C3=CC=CC=C3)C=CC=C4.[Na+]
• InChI: 1S/C27H33N3O5.Na/c1-18(2)17-21(28-25(31)23-24(35-23)27(33)34)26(32)30-15-13-29(14-16-30)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20;/h3-12,18,21-24H,13-17H2,1-2H3,(H,28,31)(H,33,34);/q;+1/p-1
• InChIKey: JJSRPMLZUUWVJC-UHFFFAOYSA-M

Properties

• Boiling point: 711.3°C at 760 mmHg (Cal.)
• Flash point: 384°C (Cal.)