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Substance Name: Selatinib ditosilate
RN: 1452886-38-2
UNII: 6Q2E32HVE7
InChIKey: GUPXYZHIHDNPSW-UHFFFAOYSA-N

Molecular Formula

  • C29-H26-Cl-F-N4-O3-S.2C7-H8-O3-S

Molecular Weight

  • 909.4728
 
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Names and Synonyms

Name of Substance

  • Selatinib ditosilate

Synonyms

  • 4-Quinazolinamine, N-(3-chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfinyl)ethyl)amino)methyl)-2-furanyl)-, 4-methylbenzenesulfonate (1:2)
  • Selatinib ditosilate
  • UNII-6Q2E32HVE7

Registry Numbers

CAS Registry Number

  • 1452886-38-2

FDA UNII

  • 6Q2E32HVE7

System Generated Number

  • 1452886382

Structure Descriptors

InChI

1S/C29H26ClFN4O3S.2C7H8O3S/c1-39(36)12-11-32-16-23-7-10-27(38-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)37-17-19-3-2-4-21(31)13-19;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2*2-5H,1H3,(H,8,9,10)

InChIKey

GUPXYZHIHDNPSW-UHFFFAOYSA-N

Smiles

C[S+]([O-])CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2.Cc6ccc(cc6)S(=O)(=O)O.Cc7ccc(cc7)S(=O)(=O)O