Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Neratinib pyridine N-oxide
RN: 1376619-94-1
UNII: PO13R2U9YB
InChIKey: CDFDEPYFRKSPTL-VQHVLOKHSA-N

Molecular Formula

  • C30-H29-Cl-N6-O4

Molecular Weight

  • 573.0421
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Neratinib pyridine N-oxide

Synonyms

  • 2-Butenamide, N-(4-((3-chloro-4-((1-oxido-2-pyridinyl)methoxy)phenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-
  • HKI-272 pyridine N-oxide
  • Neratinib metabolite M3
  • Neratinib pyridine N-oxide
  • UNII-PO13R2U9YB
  • WYE-121529

Registry Numbers

CAS Registry Number

  • 1376619-94-1

FDA UNII

  • PO13R2U9YB

System Generated Number

  • 1376619941

Structure Descriptors

InChI

1S/C30H29ClN6O4/c1-4-40-28-16-25-23(15-26(28)35-29(38)9-7-12-36(2)3)30(20(17-32)18-33-25)34-21-10-11-27(24(31)14-21)41-19-22-8-5-6-13-37(22)39/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,33,34)(H,35,38)/b9-7+

InChIKey

CDFDEPYFRKSPTL-VQHVLOKHSA-N

Smiles

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4cccc[n+]4[O-])c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C