Cinuperone
[CAS# 82117-51-9]

Identification

• Name: Cinuperone
• Synonyms: 1-(4-Fluorophenyl)-4-[4-(3-Isoquinolyl)Piperazin-1-Yl]Butan-1-One; 1-(4-Fluorophenyl)-4-[4-(3-Isoquinolyl)-1-Piperazinyl]Butan-1-One; Cinuperone [Inn]
• Molecular Formula: C₂₃H₂₄FN₃O
• Molecular Weight: 377.46
• CAS Registry Number: 82117-51-9
• SMILES: C3=C(N2CCN(CCCC(C1=CC=C(F)C=C1)=O)CC2)N=CC4=CC=CC=C34
• InChI: 1S/C23H24FN3O/c24-21-9-7-18(8-10-21)22(28)6-3-11-26-12-14-27(15-13-26)23-16-19-4-1-2-5-20(19)17-25-23/h1-2,4-5,7-10,16-17H,3,6,11-15H2
• InChIKey: YLCFZLMWTUMGKY-UHFFFAOYSA-N

Properties

• Density: 1.201g/cm³ (Cal.)
• Boiling point: 576.89°C at 760 mmHg (Cal.)
• Flash point: 302.692°C (Cal.)