7-[4-[4-(4-Fluorobenzoyl)Piperidin-1-Yl]Butyl]-1,3-Dimethylpurine-2,6-Dione
[CAS# 110390-84-6]

Identification

• Name: 7-[4-[4-(4-Fluorobenzoyl)Piperidin-1-Yl]Butyl]-1,3-Dimethylpurine-2,6-Dione
• Synonyms: 7-[4-[4-(4-Fluorobenzoyl)-1-Piperidyl]Butyl]-1,3-Dimethyl-Xanthine; 7-[4-[4-(4-Fluorobenzoyl)-1-Piperidyl]Butyl]-1,3-Dimethyl-Purine-2,6-Dione; 7-[4-[4-[(4-Fluorophenyl)-Oxomethyl]-1-Piperidinyl]Butyl]-1,3-Dimethylpurine-2,6-Dione
• Molecular Formula: C₂₃H₂₈FN₅O₃
• Molecular Weight: 441.50
• CAS Registry Number: 110390-84-6
• SMILES: C1=NC4=C([N]1CCCCN3CCC(C(=O)C2=CC=C(F)C=C2)CC3)C(=O)N(C(=O)N4C)C
• InChI: 1S/C23H28FN5O3/c1-26-21-19(22(31)27(2)23(26)32)29(15-25-21)12-4-3-11-28-13-9-17(10-14-28)20(30)16-5-7-18(24)8-6-16/h5-8,15,17H,3-4,9-14H2,1-2H3
• InChIKey: RUELBIYEEYFIQA-UHFFFAOYSA-N

Properties

• Density: 1.34g/cm³ (Cal.)
• Boiling point: 647.309°C at 760 mmHg (Cal.)
• Flash point: 345.28°C (Cal.)