Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Setrobuvir [USAN:INN]
RN: 1071517-39-9
UNII: T5B2GI8F84
InChIKey: DEKOYVOWOVJMPM-RLHIPHHXSA-N

Note

  • An antiviral agent with polymerase NS5B inhibitory activity.

Classification Code

  • Treatment of Hepatitis C

Molecular Formula

  • C25-H25-F-N4-O6-S2

Molecular Weight

  • 560.6245
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Setrobuvir [USAN:INN]

Synonyms

  • ANA 598
  • N-(3-((1R,2S,7R,8S)-3-((4-fluorophenyl)methyl)-6-hydroxy-4-oxo-3-azatricyclo (6.2.1.02,7)undec-5-en-5-yl)-1,1-dioxo-1,4-dihydro-1lambda6,2,4-benzothiadiazin-7- yl)methanesulfonamide
  • RO 5466731
  • RO-5466731
  • Setrobuvir
  • UNII-T5B2GI8F84

Systematic Name

  • Methanesulfonamide, 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- benzothiadiazin-7-yl)-

Registry Numbers

CAS Registry Number

  • 1071517-39-9

FDA UNII

  • T5B2GI8F84

System Generated Number

  • 1071517399

Structure Descriptors

InChI

1S/C25H25FN4O6S2/c1-37(33,34)28-17-8-9-18-19(11-17)38(35,36)29-24(27-18)21-23(31)20-14-4-5-15(10-14)22(20)30(25(21)32)12-13-2-6-16(26)7-3-13/h2-3,6-9,11,14-15,20,22,28,31H,4-5,10,12H2,1H3,(H,27,29)/t14-,15+,20+,22-/m0/s1

InChIKey

DEKOYVOWOVJMPM-RLHIPHHXSA-N

Smiles

CS(=O)(=O)Nc1ccc2NC(=NS(=O)(=O)c2c1)C3=C(O)[C@@H]4[C@H]5CC[C@H](C5)[C@@H]4N(Cc6ccc(F)cc6)C3=O