氯非铵
[CAS# 68379-02-2]

基本信息

• 产品名称: 氯非铵
• 英文名: Clofilium
• 别名: 4-(4-Chlorophenyl)Butyl-Diethyl-Heptyl-Ammonium; 4-(4-Chlorophenyl)Butyl-Diethyl-Heptylammonium; 4-(4-Chlorophenyl)Butyl-Diethyl-Heptyl-Azanium
• 分子式: C₂₁H₃₇ClN
• 分子量: 338.98
• CAS 登录号: 68379-02-2
• 分子行输入简码 SMILES: C1=CC(=CC=C1CCCC[N+](CCCCCCC)(CC)CC)Cl
• 国际化学标识码 InChI: 1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1
• 国际化学标识检索码 InChIKey: WPSYTTKBGAZSCX-UHFFFAOYSA-N

参考文献

• (1): William Bains, Antranig Basman and Cat White. hERG binding specificity and binding site structure: evidence from a fragment-based evolutionary computing SAR study, Progress in Biophysics and Molecular Biology 2004, 86 (2), 205-233