Boditrectinib oxalate

Catalog No. :
ACEGSY596
CAS No. :
2773577-41-4
Molecular Formula :
C25H26F2N6O5
Molecular Weight :
528.52

IUPAC Name:(R,E)-3-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-1-(piperazin-1-yl)prop-2-en-1-one oxalate

Boditrectinib oxalate structure diagram
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Product Information

Product NameBoditrectinib oxalate
IUPAC Name(R,E)-3-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-1-(piperazin-1-yl)prop-2-en-1-one oxalate
Molecular FormulaC25H26F2N6O5
Molecular Weight528.52
SMILESO=C(N1CCNCC1)/C=C/C2=C3N=C(N4[C@@H](C5=CC(F)=CC=C5F)CCC4)C=CN3N=C2.O=C(O)C(O)=O
InChI KeyACBCPPGDLMIBIP-AGGFEVDESA-N
Synonym2-Propen-1-one, 3-[5-[(2R)-2-(2,5-difluorophenyl)-1-pyrrolidinyl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-(1-piperazinyl)-, ethanedioate (1:1), (2E)-
CAS No.2773577-41-4

Synthetic Route by SureRoute

1. ACEGSY596 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACEGSY596 route product structure diagram
    ACEGSY5962773577-41-4
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2. ACEGSY596 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Plus
  5. ACBAUS147 route compound structure diagram
    ACBAUS1472923-16-2 In Stock
  6. Then
  7. ACEGSY596 route product structure diagram
    ACEGSY5962773577-41-4
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