Befuraline hydrochloride
Basic information
- CAS
41716-84-1- Standard SMILES
Cl.O=C(c1cc2ccccc2o1)N1CCN(Cc2ccccc2)CC1- InChIKey
GMEYXHHLZUAKDY-UHFFFAOYSA-N- Molecular formula
- C20H21ClN2O2
- Average molar mass
- 356.8 g/mol
- Monoisotopic mass
- 356.1291556
Names & identifiers
- Preferred name
- Befuraline hydrochloride
- IUPAC
- 1-benzofuran-2-yl-(4-benzylpiperazin-1-yl)methanone;hydrochloride
- English name
- Befuraline hydrochloride
- Molecular formula
- C20H21ClN2O2
- Molecular weight
- 356.84594
Names & synonyms
Befuraline hydrochlorideBefuraline HCl41716-84-1DIV 154DIV-1544AF205SN5KNSC-312899DTXSID40194513RefChem:116877DTXCID80117004SMR000685792NSC312899
Show more names
NSC 312899UNII-4AF205SN5KN-(Benzo(b)furan-2-ylcarbonyl)-N'-benzylpiperazine hydrochloride1-(2-Benzofuranylcarbonyl)-4-(phenylmethyl)piperazine monohydrochloridePiperazine, 1-(2-benzofuranylcarbonyl)-4-(phenylmethyl)-, monohydrochlorideMLS000881145MLS000881193orb2815700
Database identifiers
- CAS
41716-84-1- PubChem CID
- 73346
- DTXSID
DTXSID40194513- ChEMBL
CHEMBL1352815- UNII
- 4AF205SN5K
Properties
Computed structural properties
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 427
Experimental & physicochemical properties
Solubility41.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- FDA UNII
- 4 AF205SN5K · 4AF205SN5K
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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