3,7-Dihydro-7-(5-(4-(4-Chlorophenyl)-1-Piperazinyl)Pentyl)-1,3-Dimethyl-1H-Purine-2,6-Dione
[CAS# 81996-52-3]

Identification

• Name: 3,7-Dihydro-7-(5-(4-(4-Chlorophenyl)-1-Piperazinyl)Pentyl)-1,3-Dimethyl-1H-Purine-2,6-Dione
• Synonyms: 7-[5-[4-(4-Chlorophenyl)Piperazin-1-Yl]Pentyl]-1,3-Dimethyl-Purine-2,6-Dione Dihydrochloride; 7-[5-[4-(4-Chlorophenyl)-1-Piperazinyl]Pentyl]-1,3-Dimethylpurine-2,6-Dione Dihydrochloride; 7-[5-[4-(4-Chlorophenyl)Piperazin-1-Yl]Pentyl]-1,3-Dimethyl-Xanthine Dihydrochloride
• Molecular Formula: C₂₂H₃₁Cl₃N₆O₂
• Molecular Weight: 517.88
• CAS Registry Number: 81996-52-3
• SMILES: [H+].[H+].C1=NC4=C([N]1CCCCCN3CCN(C2=CC=C(Cl)C=C2)CC3)C(=O)N(C(=O)N4C)C.[Cl-].[Cl-]
• InChI: 1S/C22H29ClN6O2.2ClH/c1-25-20-19(21(30)26(2)22(25)31)29(16-24-20)11-5-3-4-10-27-12-14-28(15-13-27)18-8-6-17(23)7-9-18;;/h6-9,16H,3-5,10-15H2,1-2H3;2*1H
• InChIKey: CCQXDFPAKAAYMB-UHFFFAOYSA-N

Properties

• Boiling point: 658.4°C at 760 mmHg (Cal.)
• Flash point: 352°C (Cal.)