Sodium 3-[[4-Methyl-1-Oxo-1-[4-[(2,3,4-Trimethoxyphenyl)Methyl]Piperazin-1-Yl]Pentan-2-Yl]Carbamoyl]Oxirane-2-Carboxylate
[CAS# 84456-41-7]

Identification

• Name: Sodium 3-[[4-Methyl-1-Oxo-1-[4-[(2,3,4-Trimethoxyphenyl)Methyl]Piperazin-1-Yl]Pentan-2-Yl]Carbamoyl]Oxirane-2-Carboxylate
• Synonyms: Sodium 3-[[3-Methyl-1-[4-[(2,3,4-Trimethoxyphenyl)Methyl]Piperazine-1-Carbonyl]Butyl]Carbamoyl]Oxirane-2-Carboxylate; Sodium 3-[[[3-Methyl-1-[Oxo-[4-[(2,3,4-Trimethoxyphenyl)Methyl]-1-Piperazinyl]Methyl]Butyl]Amino]-Oxomethyl]-2-Oxiranecarboxylate; Sodium 3-[[3-Methyl-1-[4-(2,3,4-Trimethoxybenzyl)Piperazine-1-Carbonyl]Butyl]Carbamoyl]Oxirane-2-Carboxylate
• Molecular Formula: C₂₄H₃₄N₃NaO₈
• Molecular Weight: 515.54
• CAS Registry Number: 84456-41-7
• SMILES: C1=C(C(=C(OC)C(=C1)OC)OC)CN3CCN(C(=O)C(NC(=O)C2OC2C([O-])=O)CC(C)C)CC3.[Na+]
• InChI: 1S/C24H35N3O8.Na/c1-14(2)12-16(25-22(28)20-21(35-20)24(30)31)23(29)27-10-8-26(9-11-27)13-15-6-7-17(32-3)19(34-5)18(15)33-4;/h6-7,14,16,20-21H,8-13H2,1-5H3,(H,25,28)(H,30,31);/q;+1/p-1
• InChIKey: OZYMBTXBVRWWOX-UHFFFAOYSA-M

Properties

• Boiling point: 710.7°C at 760 mmHg (Cal.)
• Flash point: 383.6°C (Cal.)