Sorafenib N-Oxide

Analyte Name

Sorafenib N-Oxide

CAS Number

583840-03-3

Molecular Formula

C21 H16 Cl F3 N4 O4

Molecular Weight

480.82

Accurate Mass

480.0812

SMILES

CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)cc[n+]1[O-]

InChI

InChI=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)

IUPAC

4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1-oxidopyridin-1-ium-2-carboxamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Sorafenib Tosylate; Sorafenib

Purity

>95% (HPLC)