N-(3-((4aR,5S,8R,8aS)-1-(4-Fluorobenzyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7,8,8a-octahydro-5,8-methanoquinolin-3-yl)-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-7-yl)methanesulfonamide

Catalog No. :
ACCZOL470
CAS No. :
1071517-39-9
Molecular Formula :
C25H25FN4O6S2
Molecular Weight :
560.63

IUPAC Name:N-(3-((4aR,5S,8R,8aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7,8,8a-octahydro-5,8-methanoquinolin-3-yl)-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-7-yl)methanesulfonamide

N-(3-((4aR,5S,8R,8aS)-1-(4-Fluorobenzyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7,8,8a-octahydro-5,8-methanoquinolin-3-yl)-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-7-yl)methanesulfonamide structure diagram
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Product Information

Product NameN-(3-((4aR,5S,8R,8aS)-1-(4-Fluorobenzyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7,8,8a-octahydro-5,8-methanoquinolin-3-yl)-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-7-yl)methanesulfonamide
IUPAC NameN-(3-((4aR,5S,8R,8aS)-1-(4-fluorobenzyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7,8,8a-octahydro-5,8-methanoquinolin-3-yl)-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-7-yl)methanesulfonamide
Molecular FormulaC25H25FN4O6S2
Molecular Weight560.63
SMILESCS(=O)(NC1=CC2=C(NC(C3=C(O)[C@@H]4[C@H]5CC[C@@H]([C@@H]4N(CC6=CC=C(F)C=C6)C3=O)C5)=NS2(=O)=O)C=C1)=O
InChI KeyDEKOYVOWOVJMPM-RLHIPHHXSA-N
SynonymN-[3-[(4aR,5S,8R,8aS)-1-[(4-Fluorophenyl)methyl]-1,2,4a,5,6,7,8,8a-octahydro-4-hydroxy-2-oxo-5,8-methanoquinolin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl]methanesulfonamide;Setrobuvir (ANA598);Setrobuvir;N-[3-[(4aR,5S,8R,8aS)-1-[(4-Fluorophenyl)methyl]-1,2,4a,5,6,7,8,8a-octahydro-4-hydroxy-2-oxo-5,8-methanoquinolin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiad;ANA 598;ANA598;ANA598; ANA 598;CS-1474
CAS No.1071517-39-9

Safety Data

Pictogram
Harmful or irritant
Signal Word
Warning
Hazard Statement(s)
H302-H315-H319
Precautionary Statement(s)
P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501

Synthetic Route by SureRoute

1. ACCZOL470 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACKNFW847 route compound structure diagram
    ACKNFW8473144-09-0 In Stock
  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACCZOL470 route product structure diagram
    ACCZOL4701071517-39-9
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2. ACCZOL470 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. ACCZOL470 route product structure diagram
    ACCZOL4701071517-39-9
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