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Sorafenib N-Oxide

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For Research Use Only | Not For Clinical Use
CATAPS583840033
CAS583840-03-3
Structure
Synonyms4-[4-[[4-Chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1-oxido-pyridin-1-ium-2-carboxamide, Sorafenib N-Oxide,2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-, 1-oxide
IUPAC Name4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1-oxidopyridin-1-ium-2-carboxamide
Molecular Weight480.82
Molecular FormulaC21H16ClF3N4O4
Canonical SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)cc[n+]1[O-]
InChIInChI=1S/C21H16ClF3N4O4/c1-26-19(30)18-11-15(8-9-29(18)32)33-14-5-2-12(3-6-14)27-20(31)28-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,27,28,31)
Accurate Mass480.0812
FormatNeat
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