Nofecainide
Basic information
- CAS
50516-43-3- Standard SMILES
CC(C)NCC(O)COC1c2ccccc2C(=O)N1c1ccccc1- InChIKey
KUHVZVZAYMLXGA-UHFFFAOYSA-N- Molecular formula
- C20H24N2O3
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.17869263
Names & identifiers
- Preferred name
- Nofecainide
- IUPAC
- 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one
- English name
- nofecainide
- Molecular formula
- C20H24N2O3
- Molecular weight
- 340.42
Names & synonyms
Nofecainide50516-43-3NofecainidaNofecainide [INN]RP-303563-(2-Hydroxy-3-(isopropylamino)propoxy)-2-phenylphthalimidineNofecainidumUNII-07CJN646INRP 3035607CJN646INNofecainidum [INN-Latin]Nofecainida [INN-Spanish]
Show more names
2,3-Dihydro-3-[2-hydroxy-3-(isopropylamino)propoxy]-2-phenyl-1H-isoindol-1-one1H-Isoindol-1-one, 2,3-dihydro-3-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-2-phenyl-
3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-oneEINECS 256-610-4SCHEMBL1814932CHEMBL2105138SCHEMBL29387194DTXSID108661543-(2-Hydroxy-3-(isopropylamino)propoxy)-2-phenyl-1-isoindolinon3-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}-2-phenyl-2,3-dihydro-1H-isoindol-1-one
Database identifiers
- CAS
50516-43-3- PubChem CID
- 50972
- DTXSID
DTXSID10866154- ChEMBL
CHEMBL2105138- EC Number
- 256-610-4
- Nikkaji
- J10.491D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 437
Physicochemical properties
- FDA UNII
- 7 CJN646IN · 07CJN646IN
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Related reactions
2 records
Compound notes
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