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Substance Name: Neratinib dimethylamine N-oxide
RN: 1376615-55-2
UNII: QUH15J9Q1Q
InChIKey: DREVEVQWSRJACN-VQHVLOKHSA-N

Molecular Formula

  • C30-H29-Cl-N6-O4

Molecular Weight

  • 573.0421
 
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Names and Synonyms

Name of Substance

  • Neratinib dimethylamine N-oxide

Synonyms

  • 2-Butenamide, N-(4-((3-chloro-4-(2-pyridinylmethoxy)phenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethyloxidoamino)-, (2E)-
  • HKI-272 dimethylamine N-oxide
  • Neratinib dimethylamine N-oxide
  • Neratinib metabolite M7
  • UNII-QUH15J9Q1Q
  • WYE-121592

Registry Numbers

CAS Registry Number

  • 1376615-55-2

FDA UNII

  • QUH15J9Q1Q

System Generated Number

  • 1376615552

Structure Descriptors

InChI

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

InChIKey

DREVEVQWSRJACN-VQHVLOKHSA-N

Smiles

CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\C[N+](C)(C)[O-]