N-Desmethyl Sorafenib (Pyridine)-N-oxide

Product Description
CAT No.
ALN-S012028
CAS No.
583840-04-4
Mol. F.
C20H14ClF3N4O4
Mol. Wt.
466.8
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Product Overview
Technical Data
Reference
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Product Overview
Chemical Name : 2-Carbamoyl-4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyridine 1-oxide
Smiles : O=C(C1=CC(OC2=CC=C(NC(NC3=CC=C(Cl)C(C(F)(F)F)=C3)=O)C=C2)=CC=[N+]1[O-])N
Inchi : InChI=1S/C21H15ClF3N3O4/c1-31-19(29)18-11-15(8-9-26-18)32-14-5-2-12(3-6-14)27-20(30)28-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H2,27,28,30)
Technical Data
Reference
Fragmentation pathways and differentiation of positional isomers of sorafenib and structural analogues by ESI-IT-MSn and ESI-Q-TOF-MS/MS coupled with DFT calculations
By Yu, Dandan; Liang, XianruinFrom Journal of Mass Spectrometry (2018), 53(7), 579-589.
Box-Behnken design based statistical modelling for optimization of U PLC-MS/MS method for analysis of sorafenib in bulk and tablets
By Wanii, Tanveer A.; Alanazi, Amer M.; Zargar, Seema; Ahmad, Ajaz; Drawish, Ibrahim A. – From Journal of Computational and Theoretical Nanoscience (2015), 12(10), 3598-3604
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