Sodium 3-[[1-[4-[(4-Methoxyphenyl)Methyl]Piperazin-1-Yl]-4-Methyl-1-Oxo-Pentan-2-Yl]Carbamoyl]Oxirane-2-Carboxylate
[CAS# 84456-40-6]

Identification

• Name: Sodium 3-[[1-[4-[(4-Methoxyphenyl)Methyl]Piperazin-1-Yl]-4-Methyl-1-Oxo-Pentan-2-Yl]Carbamoyl]Oxirane-2-Carboxylate
• Synonyms: Sodium 3-[[1-[4-[(4-Methoxyphenyl)Methyl]Piperazine-1-Carbonyl]-3-Methyl-Butyl]Carbamoyl]Oxirane-2-Carboxylate; Sodium 3-[[[1-[[4-[(4-Methoxyphenyl)Methyl]-1-Piperazinyl]-Oxomethyl]-3-Methylbutyl]Amino]-Oxomethyl]-2-Oxiranecarboxylate; Sodium 3-[[3-Methyl-1-(4-P-Anisylpiperazine-1-Carbonyl)Butyl]Carbamoyl]Oxirane-2-Carboxylate
• Molecular Formula: C₂₂H₃₀N₃NaO₆
• Molecular Weight: 455.49
• CAS Registry Number: 84456-40-6
• SMILES: C3=C(CN2CCN(C(=O)C(NC(=O)C1OC1C([O-])=O)CC(C)C)CC2)C=CC(=C3)OC.[Na+]
• InChI: 1S/C22H31N3O6.Na/c1-14(2)12-17(23-20(26)18-19(31-18)22(28)29)21(27)25-10-8-24(9-11-25)13-15-4-6-16(30-3)7-5-15;/h4-7,14,17-19H,8-13H2,1-3H3,(H,23,26)(H,28,29);/q;+1/p-1
• InChIKey: GDNPXTDYAFYTJB-UHFFFAOYSA-M

Properties

• Boiling point: 689.5°C at 760 mmHg (Cal.)
• Flash point: 370.8°C (Cal.)