7-(beta-羟基-gamma-苄基哌嗪基丙基)茶碱
[CAS# 19971-94-9]

基本信息

• 产品名称: 7-(beta-羟基-gamma-苄基哌嗪基丙基)茶碱
• 英文名: 7-(beta-Hydroxy-gamma-Benzylpiperazinopropyl)Theophylline
• 别名: 7-(2-Hydroxy-4-Phenyl-3-Piperazin-1-Yl-Butyl)-1,3-Dimethyl-Purine-2,6-Dione; 7-[2-Hydroxy-4-Phenyl-3-(1-Piperazinyl)Butyl]-1,3-Dimethylpurine-2,6-Dione; 7-(2-Hydroxy-4-Phenyl-3-Piperazin-1-Yl-Butyl)-1,3-Dimethyl-Xanthine
• 分子式: C₂₁H₂₈N₆O₃
• 分子量: 412.49
• CAS 登录号: 19971-94-9
• 分子行输入简码 SMILES: C1=NC4=C([N]1CC(C(CC2=CC=CC=C2)N3CCNCC3)O)C(N(C(N4C)=O)C)=O
• 国际化学标识码 InChI: 1S/C21H28N6O3/c1-24-19-18(20(29)25(2)21(24)30)27(14-23-19)13-17(28)16(26-10-8-22-9-11-26)12-15-6-4-3-5-7-15/h3-7,14,16-17,22,28H,8-13H2,1-2H3
• 国际化学标识检索码 InChIKey: YLYYYPPNTJHUJD-UHFFFAOYSA-N