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Sorafenib N-Oxide

ISO 17034:
Catalog Number : CS-T-42547
CAS Number : 583840-03-3
Status : Available for immediate dispatch
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Chemical Information

Chemical Name : Sorafenib N-Oxide
Category : Metabolites
Purity : Not less than 95 %
Synonyms : Not available
Molecular Weight : 480.82 mol/g
Molecular Formula : C₂₁H₁₆ClF₃N₄O₄
Application : "A metabolite of Sorafenib, a potent Raf kinase inhibitor. "
Therapeutic : Anti-Cancer / Oncology

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Hazardous Compound : No

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Additional Information

Canonical 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)[O-]
Isomeric 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)[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)
InchIKey : BQAZCCVUZDIZDC-UHFFFAOYSA-N
IUPAC Name : 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-1-oxidopyridin-1-ium-2-carboxamide
Exact Mass : 480.0812172

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