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Pecavaptan

Catalog No. :
ACRTXT756
CAS No. :
1914998-56-3
Molecular Formula :
C22H19Cl2F3N6O3
Molecular Weight :
543.33

IUPAC Name:5-(4-chlorophenyl)-2-((1-(3-chlorophenyl)-5-((S)-1-hydroxyethyl)-1H-1,2,4-triazol-3-yl)methyl)-4-((S)-3,3,3-trifluoro-2-hydroxypropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Pecavaptan structure diagram
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Product Information

Product NamePecavaptan
IUPAC Name5-(4-chlorophenyl)-2-((1-(3-chlorophenyl)-5-((S)-1-hydroxyethyl)-1H-1,2,4-triazol-3-yl)methyl)-4-((S)-3,3,3-trifluoro-2-hydroxypropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Molecular FormulaC22H19Cl2F3N6O3
Molecular Weight543.33
SMILESC([C@@H](C(F)(F)F)O)N1C(=NN(CC2=NN(C([C@H](C)O)=N2)C3=CC(Cl)=CC=C3)C1=O)C4=CC=C(Cl)C=C4
InChI KeyAZXOTZCWQDJCLY-SJCJKPOMSA-N
SynonymPecavaptan | AZXOTZCWQDJCLY-SJCJKPOMSA-N | 3H-1,2,4-Triazol-3-one, 5-(4-chlorophenyl)-2-((1-(3-chlorophenyl)-5-((1S)-1-hydroxyethyl)-1H-1,2,4-triazol-3-yl)methyl)-2,4-dihydro-4-((2S)-3,3,3-trifluoro-2-hydroxypropyl)- | BAY 1753011 | UNII-44Q500OSL4 | 44Q5
CAS No.1914998-56-3
PubChem CID121301508

Synthetic Route by SureRoute

1. ACRTXT756 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACRTXT756 route product structure diagram
    ACRTXT7561914998-56-3
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2. ACRTXT756 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACRTXT756 route product structure diagram
    ACRTXT7561914998-56-3
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