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Substance Name: Simotinib hydrochloride
RN: 1538617-88-7
InChIKey: RNEAUPHMDFWZDA-UHFFFAOYSA-N

Note

  • An epidermal growth factor receptor tyrosine kinase inhibitor.

Molecular Formula

  • C25-H26-Cl-F-N4-O4.Cl-H

Molecular Weight

  • 537.4163
 
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Names and Synonyms

Name of Substance

  • Simotinib hydrochloride

Synonyms

  • SIM-6802
  • SIM6802
  • Simotinib
  • Simotinib hydrochloride

Registry Numbers

CAS Registry Number

  • 1538617-88-7

System Generated Number

  • 1538617887

Structure Descriptors

InChI

1S/C25H26ClFN4O4.ClH/c1-32-21-12-20-17(23(29-15-28-20)30-16-2-3-19(27)18(26)10-16)11-22(21)33-7-6-31-13-24(4-5-24)25(14-31)34-8-9-35-25;/h2-3,10-12,15H,4-9,13-14H2,1H3,(H,28,29,30);1H

InChIKey

RNEAUPHMDFWZDA-UHFFFAOYSA-N

Smiles

COc1cc2c(cc1OCCN3CC4(CC4)C5(C3)OCCO5)c(ncn2)Nc6ccc(c(c6)Cl)F.Cl