3-[2-[(1S,5S,7S)-7-(4-Fluorophenyl)-3-Azabicyclo[3.2.0]Hept-3-Yl]Ethyl]-1H-Quinazoline-2,4-Dione
[CAS# 208661-17-0]

Identification

• Name: 3-[2-[(1S,5S,7S)-7-(4-Fluorophenyl)-3-Azabicyclo[3.2.0]Hept-3-Yl]Ethyl]-1H-Quinazoline-2,4-Dione
• Synonyms: 3-[2-[(1R,5S,7S)-7-(4-Fluorophenyl)-3-Azabicyclo[3.2.0]Heptan-3-Yl]Ethyl]-1H-Quinazoline-2,4-Quinone; Balaperidone; Lu-111995
• Molecular Formula: C₂₂H₂₂FN₃O₂
• Molecular Weight: 379.43
• CAS Registry Number: 208661-17-0
• SMILES: [C@H]13[C@H](C[C@@H]1C2=CC=C(F)C=C2)CN(C3)CCN4C(=O)C5=C(NC4=O)C=CC=C5
• InChI: 1S/C22H22FN3O2/c23-16-7-5-14(6-8-16)18-11-15-12-25(13-19(15)18)9-10-26-21(27)17-3-1-2-4-20(17)24-22(26)28/h1-8,15,18-19H,9-13H2,(H,24,28)/t15-,18-,19+/m1/s1
• InChIKey: XLJWJFKYRFPJSD-LZQZEXGQSA-N

Properties

• Density: 1.288g/cm³ (Cal.)