Duvelisib hydrate

Catalog No. :
ACODLH451
CAS No. :
1386861-49-9
Molecular Formula :
C22H19ClN6O2
Molecular Weight :
434.89

IUPAC Name:(S)-3-(1-((7H-purin-6-yl)amino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one hydrate

Duvelisib hydrate structure diagram
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Product Information

Product NameDuvelisib hydrate
IUPAC Name(S)-3-(1-((7H-purin-6-yl)amino)ethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one hydrate
Molecular FormulaC22H19ClN6O2
Molecular Weight434.89
SMILESO=C1N(C2=CC=CC=C2)C([C@@H](NC3=C4N=CNC4=NC=N3)C)=CC5=C1C(Cl)=CC=C5.[H]O[H]
InChI KeyFQLHRUBTGKTKPZ-ZOWNYOTGSA-N
Synonym1(2H)-Isoquinolinone, 8-chloro-2-phenyl-3-[(1S)-1-(9H-purin-6-ylamino)ethyl]-, hydrate (1:);Duvelisib hydrate
CAS No.1386861-49-9

Synthetic Route by SureRoute

1. ACODLH451 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACROJY650 route compound structure diagram
    ACROJY6501350643-73-0 In Stock
  2. Then
  3. ACODLH451 route product structure diagram
    ACODLH4511386861-49-9
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2. ACODLH451 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACALQJ739 route compound structure diagram
    ACALQJ7397306-68-5 In Stock
  4. Then
  5. ACODLH451 route product structure diagram
    ACODLH4511386861-49-9
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