grazoprevir (Q19786991)

Grazoprevir (English)

19 October 2016

chemical formula

C₃₈H₅₀N₆O₉S

1 reference

Grazoprevir (English)

19 November 2016

canonical SMILES

CC(C)(C)C1C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCCC7CC7OC(=O)N1

1 reference

Grazoprevir (English)

19 November 2016

isomeric SMILES

COC1=CC2=NC3=C(CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)N[C@@]6(C[C@H]6C=C)C(=O)NS(=O)(=O)C7CC7)O3)C(C)(C)C)N=C2C=C1

1 reference

UNII

8YE81R1X1J

medical condition treated

14 February 2018

hepatitis C

start time

28 January 2016

approved by

Food and Drug Administration

1 reference

Inxight: Drugs Database

https://drugs.ncats.io/drug/8YE81R1X1J

2 November 2018

reference URL

https://www.accessdata.fda.gov/drugsatfda_docs/label/2016/208261Orig1s000lbl.pdf

route of administration

oral administration

1 reference

imported from Wikimedia project

Russian Wikipedia

Wikimedia import URL

https://ru.wikipedia.org/?oldid=117173401

subject has role

antiviral agent

1 reference

CAS COVID-19 Anti-Viral Candidate Compounds

Medical Subject Headings

15 March 2018

Grazoprevir

0 references

catalog

0 references

Identifiers

InChI

InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1

1 reference

Grazoprevir (English)

OBMNJSNZOWALQB-NCQNOWPTSA-N

19 November 2016

InChIKey

2 references

Grazoprevir (English)

19 November 2016

14 February 2018

2 references

https://commonchemistry.cas.org/detail?cas_rn=1350514-68-9

14 February 2018

7 April 2021

InChIKey

OBMNJSNZOWALQB-NCQNOWPTSA-N

1 reference

grazoprevir (English)

19 October 2016

1 reference

Grazoprevir (English)

19 November 2016

ChEBI ID

132975

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

ChEBI release 2021-03-01

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

GRAZOPREVIR (English)

19 November 2016

1 reference

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Medical Subject Headings

14 March 2018

1 reference

14 February 2018

1 reference

26 February 2018

1 reference

Grazoprevir (English)

19 November 2016

1 reference

14 February 2018

1 reference

UNII

8YE81R1X1J

grazoprevir anhydrous (English)

19 November 2016

0 references

1 reference

0 references

0 references

Microsoft Academic ID

0 references

1 reference

3SUE (English)

19 October 2016

1 reference

3SUD (English)

19 October 2016

1 reference

3SUG (English)

19 October 2016

1 reference

3SUF (English)