Wikidata

(Q7517689)

English

simeprevir

chemical compound

  • Olysio®
  • simeprevir sodium
  • TMC 435
  • TMC 435350
  • TMC-435
  • TMC435
  • Simeprevir
In more languages

Statements

has use
medication
0 references
chemical structure
Simeprevir.svg
512 × 590; 12 KB
0 references
mass
749.292 dalton
1 reference
stated in
PubChem
PubChem CID
24873435
language of work or name
English
title
SIMEPREVIR (English)
retrieved
19 October 2016
chemical formula
C₃₈H₄₇N₅O₇S₂
1 reference
stated in
PubChem
PubChem CID
24873435
language of work or name
English
title
SIMEPREVIR (English)
retrieved
18 November 2016
canonical SMILES
CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(C3)C(=O)N(CCCCC=CC5CC5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC
1 reference
stated in
PubChem
PubChem CID
24873435
language of work or name
English
title
SIMEPREVIR (English)
retrieved
18 November 2016
isomeric SMILES
CC1=C(C=CC2=C1N=C(C=C2O[C@@H]3C[C@@H]4[C@@H](C3)C(=O)N(CCCC/C=C\[C@@H]5C[C@]5(NC4=O)C(=O)NS(=O)(=O)C6CC6)C)C7=NC(=CS7)C(C)C)OC
1 reference
stated in
PubChem
PubChem CID
24873435
language of work or name
English
title
SIMEPREVIR (English)
retrieved
18 November 2016
Commons category
Simeprevir
0 references

Identifiers

HSDB ID
8227
1 reference
stated in
Hazardous Substances Data Bank
HSDB ID
8227
publication date
28 October 2019
title
Simeprevir (English)
retrieved
10 May 2021
LiverTox ID
Simeprevir
0 references
EC number
689-150-1
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.215.933
retrieved
27 December 2018
title
(1R,4R,6S,7Z,15R,17R)-N-(cyclopropanesulfonyl)-17-({7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.0⁴,⁶]octadec-7-ene-4-carboxamide (English)
quotation
CAS no.: 923604-59-5 (English)
ECHA Substance Infocard ID
100.215.933
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.215.933
retrieved
27 December 2018
title
(1R,4R,6S,7Z,15R,17R)-N-(cyclopropanesulfonyl)-17-({7-methoxy-8-methyl-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.0⁴,⁶]octadec-7-ene-4-carboxamide (English)
quotation
CAS no.: 923604-59-5 (English)
ATC code
J05AP05
0 references
PDB ligand ID
30B
0 references
DeCS ID
55903
0 references
Freebase ID
/m/0nd331d
0 references
 
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