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Details

Stereochemistry ACHIRAL
Molecular Formula C22H23FN2O5S
Molecular Weight 446.492
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NESBUVIR

SMILES

CNC(=O)C1=C(OC2=C1C=C(C3CC3)C(=C2)N(CCO)S(C)(=O)=O)C4=CC=C(F)C=C4

InChI

InChIKey=WTDWVLJJJOTABN-UHFFFAOYSA-N
InChI=1S/C22H23FN2O5S/c1-24-22(27)20-17-11-16(13-3-4-13)18(25(9-10-26)31(2,28)29)12-19(17)30-21(20)14-5-7-15(23)8-6-14/h5-8,11-13,26H,3-4,9-10H2,1-2H3,(H,24,27)

HIDE SMILES / InChI
Molecular Formula C22H23FN2O5S
Molecular Weight 446.492
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:33:18 UTC 2023
Edited
by admin
on Fri Dec 15 16:33:18 UTC 2023
Record UNII
EYK815W3Z8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NESBUVIR
INN   USAN  
INN   USAN  
Official Name English
NESBUVIR [USAN]
Common Name English
3-BENZOFURANCARBOXAMIDE, 5-CYCLOPROPYL-2-(4-FLUOROPHENYL)-6-((2-HYDROXYETHYL)(METHYLSULFONYL)AMINO)-N-METHYL-
Systematic Name English
HCV-796
Code English
HCV796
Code English
5-Cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide
Systematic Name English
nesbuvir [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C281
Created by admin on Fri Dec 15 16:33:18 UTC 2023 , Edited by admin on Fri Dec 15 16:33:18 UTC 2023
NCI_THESAURUS C25995
Created by admin on Fri Dec 15 16:33:18 UTC 2023 , Edited by admin on Fri Dec 15 16:33:18 UTC 2023
Code System Code Type Description
INN
8961
Created by admin on Fri Dec 15 16:33:18 UTC 2023 , Edited by admin on Fri Dec 15 16:33:18 UTC 2023
PRIMARY
PUBCHEM
11561383
Created by admin on Fri Dec 15 16:33:18 UTC 2023 , Edited by admin on Fri Dec 15 16:33:18 UTC 2023
PRIMARY
CAS
691852-58-1
Created by admin on Fri Dec 15 16:33:18 UTC 2023 , Edited by admin on Fri Dec 15 16:33:18 UTC 2023
PRIMARY
FDA UNII
EYK815W3Z8
Created by admin on Fri Dec 15 16:33:18 UTC 2023 , Edited by admin on Fri Dec 15 16:33:18 UTC 2023
PRIMARY
NCI_THESAURUS
C76498
Created by admin on Fri Dec 15 16:33:18 UTC 2023 , Edited by admin on Fri Dec 15 16:33:18 UTC 2023
PRIMARY
EVMPD
SUB35634
Created by admin on Fri Dec 15 16:33:18 UTC 2023 , Edited by admin on Fri Dec 15 16:33:18 UTC 2023
PRIMARY
ChEMBL
CHEMBL1092581
Created by admin on Fri Dec 15 16:33:18 UTC 2023 , Edited by admin on Fri Dec 15 16:33:18 UTC 2023
PRIMARY
USAN
TT-60
Created by admin on Fri Dec 15 16:33:18 UTC 2023 , Edited by admin on Fri Dec 15 16:33:18 UTC 2023
PRIMARY
MESH
C539481
Created by admin on Fri Dec 15 16:33:18 UTC 2023 , Edited by admin on Fri Dec 15 16:33:18 UTC 2023
PRIMARY
DRUG BANK
DB07238
Created by admin on Fri Dec 15 16:33:18 UTC 2023 , Edited by admin on Fri Dec 15 16:33:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID90219225
Created by admin on Fri Dec 15 16:33:18 UTC 2023 , Edited by admin on Fri Dec 15 16:33:18 UTC 2023
PRIMARY
SMS_ID
100000128527
Created by admin on Fri Dec 15 16:33:18 UTC 2023 , Edited by admin on Fri Dec 15 16:33:18 UTC 2023
PRIMARY
Related Record Type Details
HEPATITIS C VIRUS
TARGET ORGANISM->INHIBITOR
HCV NS5B POLYMERASE
TARGET -> INHIBITOR
Related Record Type Details
Structure of NESBUVIR
ACTIVE MOIETY
NIH
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