7-(3-(4-Benzyl-1-Piperazinyl)Propyl)-Theophylline Dihydrochloride
[CAS# 19971-75-6]

Identification

• Name: 7-(3-(4-Benzyl-1-Piperazinyl)Propyl)-Theophylline Dihydrochloride
• Synonyms: 7-[3-(4-Benzylpiperazin-1-Yl)Propyl]-1,3-Dimethyl-Purine-2,6-Dione Dihydrochloride; 7-[3-(4-Benzyl-1-Piperazinyl)Propyl]-1,3-Dimethylpurine-2,6-Dione Dihydrochloride; 7-[3-(4-Benzylpiperazin-1-Yl)Propyl]-1,3-Dimethyl-Xanthine Dihydrochloride
• Molecular Formula: C₂₁H₃₀Cl₂N₆O₂
• Molecular Weight: 469.41
• CAS Registry Number: 19971-75-6
• SMILES: [H+].[H+].C([N]2C1=C(N(C(=O)N(C1=O)C)C)N=C2)CCN3CCN(CC3)CC4=CC=CC=C4.[Cl-].[Cl-]
• InChI: 1S/C21H28N6O2.2ClH/c1-23-19-18(20(28)24(2)21(23)29)27(16-22-19)10-6-9-25-11-13-26(14-12-25)15-17-7-4-3-5-8-17;;/h3-5,7-8,16H,6,9-15H2,1-2H3;2*1H
• InChIKey: KZTIGHVTLWDEPE-UHFFFAOYSA-N