Basic information
- CAS
41717-30-0- Standard SMILES
O=C(c1cc2ccccc2o1)N1CCN(Cc2ccccc2)CC1- InChIKey
SRIJFPBZWUFLFD-UHFFFAOYSA-N- Molecular formula
- C20H20N2O2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.15247789
Overview
Befuraline is a small molecule drug. Befuraline has a monoisotopic molecular weight of 320.15 Da.
Names & identifiers
- Preferred name
- Befuraline
- IUPAC
- 1-benzofuran-2-yl-(4-benzylpiperazin-1-yl)methanone
- English name
- Befuraline
- Molecular formula
- C20H20N2O2
- Molecular weight
- 320.39
Names & synonyms
Befuraline41717-30-0BefuralinaBefuralinumDTXSID2046206787AQ35GHRDTXCID0026206RefChem:116876N-benzo(b)furan-2-ylcarbonyl-N'-benzylpiperazine.HClBefuraline [INN]1-benzofuran-2-yl-(4-benzylpiperazin-1-yl)methanone1-(2-Benzofuranylcarbonyl)-4-benzylpiperazine
Show more names
Methanone, 2-benzofuranyl[4-(phenylmethyl)-1-piperazinyl]-
1-(1-benzofuran-2-carbonyl)-4-benzylpiperazineNCGC00160526-01NSC312899Befuralinum [INN-Latin]Befuralina [INN-Spanish]UNII-787AQ35GHRMLS006011484SCHEMBL499156
Database identifiers
- CAS
41717-30-0- PubChem CID
- 68664
- DTXSID
DTXSID2046206- ChEMBL
CHEMBL1076256- UNII
- 787AQ35GHR
- Nikkaji
- J16.627H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Boiling point
- 477.5 · 477.5±40.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- pka
- 6.35 · 6.35±0.10(Predicted)
- FDA UNII
- 787 AQ35GHR · 787AQ35GHR
Chemistry & industry
Suppliers2 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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