7-(beta-Hydroxy-gamma-Benzylpiperazinopropyl)Theophylline
[CAS# 19971-94-9]

Identification

• Name: 7-(beta-Hydroxy-gamma-Benzylpiperazinopropyl)Theophylline
• Synonyms: 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
• Molecular Formula: C₂₁H₂₈N₆O₃
• Molecular Weight: 412.49
• CAS Registry Number: 19971-94-9
• SMILES: C1=NC4=C([N]1CC(C(CC2=CC=CC=C2)N3CCNCC3)O)C(N(C(N4C)=O)C)=O
• 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
• InChIKey: YLYYYPPNTJHUJD-UHFFFAOYSA-N