Cyclohexanecarboxylic Acid, 1-((2,5-Dioxo-1-Pyrrolidinyl)Methyl)-2-(4- (2-Pyridinyl)-1-Piperazinyl)Ethyl Ester, (Z)-2-Butenedioate (1:1)
[CAS# 84916-34-7]

Identification

• Name: Cyclohexanecarboxylic Acid, 1-((2,5-Dioxo-1-Pyrrolidinyl)Methyl)-2-(4- (2-Pyridinyl)-1-Piperazinyl)Ethyl Ester, (Z)-2-Butenedioate (1:1)
• Synonyms: But-2-Enedioic Acid; [1-[(2,5-Dioxopyrrolidin-1-Yl)Methyl]-2-[4-(2-Pyridyl)Piperazin-1-Yl]Ethyl] Cyclohexanecarboxylate; But-2-Enedioic Acid; Cyclohexanecarboxylic Acid [1-[(2,5-Dioxo-1-Pyrrolidinyl)Methyl]-2-[4-(2-Pyridyl)-1-Piperazinyl]Ethyl] Ester; But-2-Enedioic Acid; Cyclohexanecarboxylic Acid [1-[[4-(2-Pyridyl)Piperazin-1-Yl]Methyl]-2-Succinimido-Ethyl] Ester
• Molecular Formula: C₂₇H₃₆N₄O₈
• Molecular Weight: 544.60
• CAS Registry Number: 84916-34-7
• SMILES: C1=CC=CN=C1N4CCN(CC(OC(=O)C2CCCCC2)CN3C(=O)CCC3=O)CC4.O=C(O)\C=C\C(=O)O
• InChI: 1S/C23H32N4O4.C4H4O4/c28-21-9-10-22(29)27(21)17-19(31-23(30)18-6-2-1-3-7-18)16-25-12-14-26(15-13-25)20-8-4-5-11-24-20;5-3(6)1-2-4(7)8/h4-5,8,11,18-19H,1-3,6-7,9-10,12-17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: VSFMELQCNYRJMG-WLHGVMLRSA-N

Properties

• Boiling point: 631.3°C at 760 mmHg (Cal.)
• Flash point: 335.6°C (Cal.)