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Substance Name: Simotinib
RN: 944258-89-3
UNII: 58K797D5IK
InChIKey: OXWUWXCJDBRCCG-UHFFFAOYSA-N

Molecular Weight

  • 500.9554
 
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Names and Synonyms

Name of Substance

  • Simotinib

Synonym

  • UNII-58K797D5IK

Registry Numbers

CAS Registry Number

  • 944258-89-3

FDA UNII

  • 58K797D5IK

System Generated Number

  • 0944258893

Structure Descriptors

InChI

1S/C25H26ClFN4O4/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)

InChIKey

OXWUWXCJDBRCCG-UHFFFAOYSA-N

Smiles

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