99494-01-6 Purity
97%
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Specification
The molecular formula of S-(+)-Flecainide is C17H20F6N2O3.
The molecular weight of S-(+)-Flecainide is 414.34 g/mol.
The IUPAC name of S-(+)-Flecainide is N-[[(2S)-piperidin-2-yl]methyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide.
The InChI of S-(+)-Flecainide is InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)/t11-/m0/s1.
The InChIKey of S-(+)-Flecainide is DJBNUMBKLMJRSA-NSHDSACASA-N.
The canonical SMILES of S-(+)-Flecainide is C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F.
The isomeric SMILES of S-(+)-Flecainide is C1CCN[C@@H](C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F.
The CAS number of S-(+)-Flecainide is 99495-92-8.
The ChEMBL ID of S-(+)-Flecainide is CHEMBL251457.
The XLogP3 value of S-(+)-Flecainide is 3.8.