Simotinib HCl

Catalog No. :
ACJXJN107
CAS No. :
1538617-88-7
Molecular Formula :
C25H27Cl2FN4O4
Molecular Weight :
537.42

IUPAC Name:6-(2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine hydrochloride

Simotinib HCl structure diagram
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Product Information

Product NameSimotinib HCl
IUPAC Name6-(2-(5,8-dioxa-10-azadispiro[2.0.44.33]undecan-10-yl)ethoxy)-N-(3-chloro-4-fluorophenyl)-7-methoxyquinazolin-4-amine hydrochloride
Molecular FormulaC25H27Cl2FN4O4
Molecular Weight537.42
SMILESCOC1=C(C=C2C(N=CN=C2NC3=CC(Cl)=C(C=C3)F)=C1)OCCN4CC5(CC5)C6(C4)OCCO6.Cl[H]
InChI KeyRNEAUPHMDFWZDA-UHFFFAOYSA-N
Synonym4-Quinazolinamine, N-(3-chloro-4-fluorophenyl)-6-[2-(5,8-dioxa-10-azadispiro[2.0.4.3]undec-10-yl)ethoxy]-7-methoxy-, hydrochloride (1:1);Simotinib hydrochloride
CAS No.1538617-88-7

Synthetic Route by SureRoute

1. ACJXJN107 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACATLF129 route compound structure diagram
    ACATLF129129321-60-4 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACJXJN107 route product structure diagram
    ACJXJN1071538617-88-7
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2. ACJXJN107 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACGETH780 route compound structure diagram
    ACGETH780184475-71-6 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACJXJN107 route product structure diagram
    ACJXJN1071538617-88-7
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