Dapitant

Catalog No. :
ACXDLC767
CAS No. :
153438-49-4
Molecular Formula :
C37H39NO4
Molecular Weight :
561.72

IUPAC Name:(S)-1-((3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyloctahydro-2H-isoindol-2-yl)-2-(2-methoxyphenyl)propan-1-one

Dapitant structure diagram
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Product Information

Product NameDapitant
IUPAC Name(S)-1-((3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyloctahydro-2H-isoindol-2-yl)-2-(2-methoxyphenyl)propan-1-one
Molecular FormulaC37H39NO4
Molecular Weight561.72
SMILESC[C@@H](C1=CC=CC=C1OC)C(N2C[C@]3([H])C(C4=CC=CC=C4)(C5=CC=CC=C5)CC[C@](C6=CC=CC=C6OC)(O)[C@]3([H])C2)=O
InChI KeyCCIWVEMVBWEMCY-RCFOMQFPSA-N
SynonymRPR 100893;(3aS,4S,7aS)-Octahydro-4-(2-methoxyphenyl)-2-[(2S)-2-(2-methoxyphenyl)-1-oxopropyl]-7,7-diphenyl-1H-isoindol-4-ol;(2S)-1-[(3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-(2-methoxyphenyl)propan-1-one;1H-Isoindol-4-ol, octahydro-4-(2-methoxyphenyl)-2-[(2S)-2-(2-methoxyphenyl)-1-oxopropyl]-7,7-diphenyl-, (3aS,4S,7aS)-
CAS No.153438-49-4

Synthetic Route by SureRoute

1. ACXDLC767 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. ACXDLC767 route product structure diagram
    ACXDLC767153438-49-4
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2. ACXDLC767 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACSMJE891 route compound structure diagram
    ACSMJE89181616-80-0 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACXDLC767 route product structure diagram
    ACXDLC767153438-49-4
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