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Regorafenib N-Oxide(M2)
Regorafenib N-oxide (M2 Metabolite), Regorafenib N-Oxide(M2)
CAS Number: 835621-11-9
IUPAC name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methyl-1-oxidopyridin-1-ium-2-carboxamide
Molecular formula: C21H15ClF4N4O4
Molecular weight: 498.81500
InChI: InChI=1S/C21H15ClF4N4O4/c1-27-19(31)18-10-13(6-7-30(18)33)34-12-3-5-17(16(23)9-12)29-20(32)28-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,28,29,32)
InChIKey: NUCXNEKIESREQY-UHFFFAOYSA-N
SMILES: CNC(=O)C1=[N+](C=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F)[O-]
EINECS: -
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