Cyclohexanecarboxylic Acid, 1-((1,3,3a,4,7,7a-Hexahydro-1,3-Dioxo-4,7- Methano-2H-Isoindol-2-2-Yl)Methyl)-2-(4-(2-Pyridinyl)-1-Piperazinyl)Ethyl Ester, (Z)-2-Butenedioate (1:2)
[CAS# 84916-44-9]

Identification

• Name: Cyclohexanecarboxylic Acid, 1-((1,3,3a,4,7,7a-Hexahydro-1,3-Dioxo-4,7- Methano-2H-Isoindol-2-2-Yl)Methyl)-2-(4-(2-Pyridinyl)-1-Piperazinyl)Ethyl Ester, (Z)-2-Butenedioate (1:2)
• Molecular Formula: C₃₆H₄₄N₄O₁₂
• Molecular Weight: 724.76
• CAS Registry Number: 84916-44-9
• SMILES: C1=CC=CN=C1N6CCN(CC(OC(=O)C2CCCCC2)CN5C(=O)C3C(C4CC3C=C4)C5=O)CC6.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/C28H36N4O4.2C4H4O4/c33-26-24-20-9-10-21(16-20)25(24)27(34)32(26)18-22(36-28(35)19-6-2-1-3-7-19)17-30-12-14-31(15-13-30)23-8-4-5-11-29-23;2*5-3(6)1-2-4(7)8/h4-5,8-11,19-22,24-25H,1-3,6-7,12-18H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+
• InChIKey: OJRHMOGSWVPNGO-LVEZLNDCSA-N

Properties

• Boiling point: 686.2°C at 760 mmHg (Cal.)
• Flash point: 368.8°C (Cal.)