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Substance Name: N-Desmethyl regorafenib N-oxide
RN: 835621-12-0
UNII: 2JAO521NBP
InChIKey: JPEWXTSDCNCZOD-UHFFFAOYSA-N

Molecular Formula

  • C20-H13-Cl-F4-N4-O4

Molecular Weight

  • 484.7917
 
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Names and Synonyms

Name of Substance

  • N-Desmethyl regorafenib N-oxide

Synonyms

  • 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
  • BAY-818752
  • N-Desmethyl regorafenib N-oxide
  • Regorafenib metabolite M5
  • UNII-2JAO521NBP

Registry Numbers

CAS Registry Number

  • 835621-12-0

FDA UNII

  • 2JAO521NBP

System Generated Number

  • 0835621120

Structure Descriptors

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)

InChIKey

JPEWXTSDCNCZOD-UHFFFAOYSA-N

Smiles

NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1=O