Spiperone
[CAS# 749-02-0]

Identification

• Name: Spiperone
• Synonyms: 8-[4-(4-Fluorophenyl)-4-Oxo-Butyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One; 8-[4-(4-Fluorophenyl)-4-Keto-Butyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One; Ncgc00022260-04
• Molecular Formula: C₂₃H₂₆FN₃O₂
• Molecular Weight: 395.48
• CAS Registry Number: 749-02-0
• EINECS: 212-024-0
• SMILES: C1=CC=CC=C1N2C4(C(NC2)=O)CCN(CCCC(C3=CC=C(F)C=C3)=O)CC4
• InChI: 1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
• InChIKey: DKGZKTPJOSAWFA-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 630.6±55.0°C at 760 mmHg (Cal.)
• Flash point: 335.2±31.5°C (Cal.)

References

• (1): Lucy E. Jennings and Nicholas J. Long. ‘Two is better than one’—probes for dual-modality molecular imaging, Chem. Commun., 2009, 3511.