4-(Diphenylacetyl)-alpha-((5-quinolinyloxy)methyl)-1-piperazineethanol (E)-2-butenedioate (2:3) (salt)
[CAS# 158681-49-3]

Identification

• Name: 4-(Diphenylacetyl)-alpha-((5-quinolinyloxy)methyl)-1-piperazineethanol (E)-2-butenedioate (2:3) (salt)
• Synonyms: But-2-Enedioic Acid; 1-[4-[2-Hydroxy-3-(5-Quinolyloxy)Propyl]Piperazin-1-Yl]-2,2-Di(Phenyl)Ethanone; 1-[4-[2-Hydroxy-3-(5-Quinolyloxy)Propyl]Piperazin-1-Yl]-2,2-Diphenyl-Ethanone; But-2-Enedioic Acid; 1-[4-[2-Hydroxy-3-(5-Quinolyloxy)Propyl]-1-Piperazinyl]-2,2-Di(Phenyl)Ethanone; 1-[4-[2-Hydroxy-3-(5-Quinolyloxy)Propyl]-1-Piperazinyl]-2,2-Diphenylethanone
• Molecular Formula: C₇₂H₇₄N₆O₁₈
• Molecular Weight: 1311.41
• CAS Registry Number: 158681-49-3
• SMILES: C5=C(C(C(=O)N1CCN(CC1)CC(O)COC2=C3C(=CC=C2)N=CC=C3)C4=CC=CC=C4)C=CC=C5.C%10=C(C(C(=O)N6CCN(CC6)CC(O)COC7=C8C(=CC=C7)N=CC=C8)C9=CC=CC=C9)C=CC=C%10.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O.O=C(O)\C=C\C(=O)O
• InChI: 1S/2C30H31N3O3.3C4H4O4/c2*34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24;3*5-3(6)1-2-4(7)8/h2*1-16,25,29,34H,17-22H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+
• InChIKey: ZGMJYTYLTJFNCS-VQYXCCSOSA-N

Properties

• Boiling point: 720.8°C at 760 mmHg (Cal.)
• Flash point: 389.7°C (Cal.)