5,5'-二乙氧基-3,3',4,4'-四氢-8,8'-二甲氧基-1,1'-联萘
[CAS# 115388-32-4]

基本信息

• 产品名称: 5,5'-二乙氧基-3,3',4,4'-四氢-8,8'-二甲氧基-1,1'-联萘
• 英文名: 5,5'-Diethoxy-3,3',4,4'-Tetrahydro-8,8'-Dimethoxy-1,1'-Binaphthalene
• 别名: 2-[4-[4-(2-Methoxyphenyl)Piperazin-1-Ium-1-Yl]Butyl]Isoindoline-1,3-Dione; 2-[4-[4-(2-Methoxyphenyl)-1-Piperazin-1-Iumyl]Butyl]Isoindoline-1,3-Dione; 2-[4-[4-(2-Methoxyphenyl)Piperazin-1-Ium-1-Yl]Butyl]Isoindoline-1,3-Quinone
• 分子式: C₂₃H₂₈N₃O₃
• 分子量: 394.49
• CAS 登录号: 115388-32-4
• 分子行输入简码 SMILES: C4=C(N1CC[NH+](CC1)CCCCN3C(=O)C2=CC=CC=C2C3=O)C(=CC=C4)OC
• 国际化学标识码 InChI: 1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3/p+1
• 国际化学标识检索码 InChIKey: SJDOMIRMMUGQQK-UHFFFAOYSA-O

物理化学性质

• 沸点: 560.813°C at 760 mmHg （计算值）
• 闪点: 292.97°C （计算值）

参考文献

• (1): A. Dalpiaz, V. Ferretti, P. Gilli and V. Bertolasi. Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT1, 5-HT 2 and 5-HT3 receptor subtypes, Acta Cryst. (1996). B52, 509-518