ABC01191VS

N-Desmethyl Regorafenib N-Oxide

N-Desmethyl Regorafenib N-Oxide is a demethylated metabolite of Regorafenib, featuring a pyrazine core linked to a 1H-1,2,3-triazole ring and a 4-chlorophenyl group. The N-oxide functionality at the triazole nitrogen and absence of the methyl group distinguish it from the parent compound. This structural modification alters its electronic properties and metabolic stability. It serves as a critical HPLC reference standard for quantifying process-related impurities in Regorafenib drug substance synthesis.

On Request
Molecular Formula C20H13ClF4N4O4
Molecular Weight 484.8000
CAS Number 835621-12-0 ✓ Verified
PubChem CID 53491673 ↗
Purity N/A
Product Type API Impurity
Parent Drug Regorafenib
Lead Time On Request
IUPAC Name 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-1-oxidopyridin-1-ium-2-carboxamide

📝 Synonyms

N-Desmethyl regorafenib N-oxide Regorafenib metabolite M5 BAY-818752 2JAO521NBP 2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)-3-fluorophenoxy)-, 1-oxide 4-(4-((4-Chloro-3-(trifluoromethyl)phenyl)carbamoylamino)-3-fluoro-phenoxy)-1-oxido-pyridin-1-ium-2-carboxamide UNII-2JAO521NBP 2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-, 1-oxide RefChem:202119 835621-12-0

🔬 Chemical Identifiers

C1=CC(=C(C=C1NC(=O)NC2=C(C=C(C=C2)OC3=CC(=[N+](C=C3)[O-])C(=O)N)F)C(F)(F)F)Cl
InChI=1S/C20H13ClF4N4O4/c21-14-3-1-10(7-13(14)20(23,24)25)27-19(31)28-16-4-2-11(8-15(16)22)33-12-5-6-29(32)17(9-12)18(26)30/h1-9H,(H2,26,30)(H2,27,28,31)
JPEWXTSDCNCZOD-UHFFFAOYSA-N

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