4-(dibenzo[b,f][1,4]thiazepin-11-yl)-1-(2-(2-hydroxyethoxy)ethyl)piperazine 1-oxide

Catalog No. :
ACCCPS854
CAS No. :
1076199-40-0
Molecular Formula :
C21H25N3O3S
Molecular Weight :
399.52

IUPAC Name:4-(dibenzo[b,f][1,4]thiazepin-11-yl)-1-(2-(2-hydroxyethoxy)ethyl)piperazine 1-oxide

4-(dibenzo[b,f][1,4]thiazepin-11-yl)-1-(2-(2-hydroxyethoxy)ethyl)piperazine 1-oxide structure diagram
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Product Information

Product Name4-(dibenzo[b,f][1,4]thiazepin-11-yl)-1-(2-(2-hydroxyethoxy)ethyl)piperazine 1-oxide
IUPAC Name4-(dibenzo[b,f][1,4]thiazepin-11-yl)-1-(2-(2-hydroxyethoxy)ethyl)piperazine 1-oxide
Molecular FormulaC21H25N3O3S
Molecular Weight399.52
SMILES[O-][N+]1(CCOCCO)CCN(C2=NC3=C(C=CC=C3)SC3=CC=CC=C32)CC1
InChI KeyVVBXDYFGQNNTDS-UHFFFAOYSA-N
SynonymQuetiapine EP Impurity H;2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol N-Oxide;Quetiapine N-Oxide;Quetiapine EP Impurity H (Quetiapine-N-Oxide);Quetiapine Impurity 1(Quetiapine EP Impurity H);2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-1-oxidopiperazin-1-ium-1-yl)ethoxy]ethanol;Quetiapine Impurity H;Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-oxido-1-piperazinyl)ethoxy]-
CAS No.1076199-40-0

Synthetic Route by SureRoute

1. ACCCPS854 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACCCPS854 route product structure diagram
    ACCCPS8541076199-40-0
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2. ACCCPS854 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. ACCCPS854 route product structure diagram
    ACCCPS8541076199-40-0
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