1,3-Dimethyl-7-(5-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}pentyl)-3,7-dihydro-1H-purine-2,6-dione dihydrochloride
[CAS# 87798-87-6]

Identification

• Name: 1,3-Dimethyl-7-(5-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}pentyl)-3,7-dihydro-1H-purine-2,6-dione dihydrochloride
• Synonyms: 7-(5-(4-(m-Trifluoromethylphenyl)-1-piperazinyl)pentyl)theophylline dihydrochloride; 7-(5-(4-(m-Trifluoromethylphenyl)piperazinyl-(1))-n-pentyl)-theophyllin dihydrochlorid; Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride
• Molecular Formula: C₂₃H₃₁Cl₂F₃N₆O₂
• Molecular Weight: 551.43
• CAS Registry Number: 87798-87-6
• SMILES: Cl.Cl.FC(F)(F)c4cc(N3CCN(CCCCCn1c2C(=O)N(C(=O)N(c2nc1)C)C)CC3)ccc4
• InChI: 1S/C23H29F3N6O2.2ClH/c1-28-20-19(21(33)29(2)22(28)34)32(16-27-20)10-5-3-4-9-30-11-13-31(14-12-30)18-8-6-7-17(15-18)23(24,25)26;;/h6-8,15-16H,3-5,9-14H2,1-2H3;2*1H
• InChIKey: ZZWRLSPOWNPULZ-UHFFFAOYSA-N

Properties

• Boiling point: 635.4°C at 760 mmHg (Cal.)
• Flash point: 338.1°C (Cal.)