Basic information
- CAS
208661-17-0- Standard SMILES
O=c1[nH]c2ccccc2c(=O)n1CCN1C[C@H]2C[C@H](c3ccc(F)cc3)[C@H]2C1- InChIKey
XLJWJFKYRFPJSD-LZQZEXGQSA-N- Molecular formula
- C22H22FN3O2
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.16960512
Overview
Belaperidone is a small molecule drug. Belaperidone has a monoisotopic molecular weight of 379.17 Da.
Names & identifiers
- Preferred name
- Belaperidone
- IUPAC
- 3-[2-[(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-1H-quinazoline-2,4-dione
- English name
- 3-[2-[(1S,5S,7S)-7-(4-fluorophenyl)-3-azabicyclo[3.2.0]hept-3-yl]ethyl]-1H-quinazoline-2,4-dione
- Molecular formula
- C22H22FN3O2
- Molecular weight
- 379.43
Names & synonyms
Belaperidone208661-17-0Belaperidone [INN]LU-111995belaperidonaUNII-4DN0TK48924DN0TK48922,4(1H,3H)-Quinazolinedione, 3-(2-((1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo(3.2.0)hept-3-yl)ethyl)-156862-51-0belaperidonum2,4(1H,3H)-Quinazolinedione, 3-[2-[(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]hept-3-yl]ethyl]-RefChem:116918
Show more names
Lu 111995
(+)-3-(2-((1S,5R,6S)-6-(p-Fluorophenyl)-3-azabicyclo(3.2.0)hept-3-yl)ethyl)-2,4(1H,3H)-quinazolinedione3-[2-[(1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]-1H-quinazoline-2,4-dioneBalaperidone3-(2-((1S,5R,6S)-6-(4-fluorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl)ethyl)quinazoline-2,4(1H,3H)-dione3-[2-[(1S,5S,7S)-7-(4-fluorophenyl)-3-azabicyclo[3.2.0]hept-3-yl]ethyl]-1H-quinazoline-2,4-dionestarbld0014830orb1701085SCHEMBL2109100
Database identifiers
- CAS
208661-17-0- PubChem CID
- 184841
- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 621
Physicochemical properties
- Density
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- pka
- 12.84 · 12.84±0.20(Predicted)
- FDA UNII
- 4 DN0TK4892 · 4DN0TK4892
Chemistry & industry
Applications
UsesBelaperidone (LU-111995), a 5-HT2A receptor inhibitor, possesses antidopaminergic and antiserotonergic effects[1].
Suppliers4 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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