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Details

Stereochemistry ACHIRAL
Molecular Formula C25H14F7N5
Molecular Weight 517.401
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TEGOBUVIR

SMILES

FC1=CC=CC=C1C2=NC3=CN(CC4=NN=C(C=C4)C5=CC=C(C=C5C(F)(F)F)C(F)(F)F)C=CC3=N2

InChI

InChIKey=XBEQSQDCBSKCHJ-UHFFFAOYSA-N
InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2

HIDE SMILES / InChI
Molecular Formula C25H14F7N5
Molecular Weight 517.401
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 18:48:20 UTC 2023
Edited
by admin
on Fri Dec 15 18:48:20 UTC 2023
Record UNII
5NOK5X389M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TEGOBUVIR
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
tegobuvir [INN]
Common Name English
5-({6-[2,4-Bis(trifluoromethyl)phenyl]pyridazin-3-yl}methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine
Systematic Name English
GS-9190
Code English
5H-IMIDAZO(4,5-C)PYRIDINE, 5-((6-(2,4-BIS(TRIFLUOROMETHYL)PHENYL)-3-PYRIDAZINYL)METHYL)- 2-(2-FLUOROPHENYL)-
Systematic Name English
TEGOBUVIR [USAN]
Common Name English
Tegobuvir [WHO-DD]
Common Name English
GS-333126
Code English
Classification Tree Code System Code
NCI_THESAURUS C783
Created by admin on Fri Dec 15 18:48:20 UTC 2023 , Edited by admin on Fri Dec 15 18:48:20 UTC 2023
NCI_THESAURUS C281
Created by admin on Fri Dec 15 18:48:20 UTC 2023 , Edited by admin on Fri Dec 15 18:48:20 UTC 2023
Code System Code Type Description
USAN
WW-47
Created by admin on Fri Dec 15 18:48:20 UTC 2023 , Edited by admin on Fri Dec 15 18:48:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID80142917
Created by admin on Fri Dec 15 18:48:20 UTC 2023 , Edited by admin on Fri Dec 15 18:48:20 UTC 2023
PRIMARY
FDA UNII
5NOK5X389M
Created by admin on Fri Dec 15 18:48:20 UTC 2023 , Edited by admin on Fri Dec 15 18:48:20 UTC 2023
PRIMARY
PUBCHEM
23649154
Created by admin on Fri Dec 15 18:48:20 UTC 2023 , Edited by admin on Fri Dec 15 18:48:20 UTC 2023
PRIMARY
CAS
1000787-75-6
Created by admin on Fri Dec 15 18:48:20 UTC 2023 , Edited by admin on Fri Dec 15 18:48:20 UTC 2023
PRIMARY
NCI_THESAURUS
C152541
Created by admin on Fri Dec 15 18:48:20 UTC 2023 , Edited by admin on Fri Dec 15 18:48:20 UTC 2023
PRIMARY
INN
9254
Created by admin on Fri Dec 15 18:48:20 UTC 2023 , Edited by admin on Fri Dec 15 18:48:20 UTC 2023
PRIMARY
ChEMBL
CHEMBL1957287
Created by admin on Fri Dec 15 18:48:20 UTC 2023 , Edited by admin on Fri Dec 15 18:48:20 UTC 2023
PRIMARY
DRUG BANK
DB11852
Created by admin on Fri Dec 15 18:48:20 UTC 2023 , Edited by admin on Fri Dec 15 18:48:20 UTC 2023
PRIMARY
SMS_ID
300000034391
Created by admin on Fri Dec 15 18:48:20 UTC 2023 , Edited by admin on Fri Dec 15 18:48:20 UTC 2023
PRIMARY
Related Record Type Details
HEPATITIS C VIRUS
TARGET ORGANISM->INHIBITOR
HCV NS5B POLYMERASE
TARGET -> INHIBITOR
Related Record Type Details
Structure of TEGOBUVIR
ACTIVE MOIETY
NIH
NCATS
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