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Details

Stereochemistry ACHIRAL
Molecular Formula C23H15F2NO2
Molecular Weight 375.3675
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BREQUINAR

SMILES

CC1=C(N=C2C=CC(F)=CC2=C1C(O)=O)C3=CC=C(C=C3)C4=C(F)C=CC=C4

InChI

InChIKey=PHEZJEYUWHETKO-UHFFFAOYSA-N
InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)

HIDE SMILES / InChI

Molecular Formula C23H15F2NO2
Molecular Weight 375.3675
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:52:19 UTC 2023
Edited
by admin
on Sat Dec 16 16:52:19 UTC 2023
Record UNII
5XL19F49H6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BREQUINAR
INN   MI   WHO-DD  
INN  
Official Name English
4-QUINOLINECARBOXYLIC ACID, 6-FLUORO-2-(2'-FLUORO(1,1'-BIPHENYL)-4-YL)-3-METHYL-
Common Name English
Brequinar [WHO-DD]
Common Name English
brequinar [INN]
Common Name English
6-FLUORO-2-(2'-FLUORO-4-BIPHENYLYL)-3-METHYL-4-QUINOLINECARBOXYLATE
Systematic Name English
BREQUINAR [MI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1557
Created by admin on Sat Dec 16 16:52:20 UTC 2023 , Edited by admin on Sat Dec 16 16:52:20 UTC 2023
NCI_THESAURUS C2169
Created by admin on Sat Dec 16 16:52:20 UTC 2023 , Edited by admin on Sat Dec 16 16:52:20 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL38434
Created by admin on Sat Dec 16 16:52:20 UTC 2023 , Edited by admin on Sat Dec 16 16:52:20 UTC 2023
PRIMARY
SMS_ID
100000088660
Created by admin on Sat Dec 16 16:52:20 UTC 2023 , Edited by admin on Sat Dec 16 16:52:20 UTC 2023
PRIMARY
CHEBI
177387
Created by admin on Sat Dec 16 16:52:20 UTC 2023 , Edited by admin on Sat Dec 16 16:52:20 UTC 2023
PRIMARY
NCI_THESAURUS
C1560
Created by admin on Sat Dec 16 16:52:20 UTC 2023 , Edited by admin on Sat Dec 16 16:52:20 UTC 2023
PRIMARY
MERCK INDEX
m2646
Created by admin on Sat Dec 16 16:52:20 UTC 2023 , Edited by admin on Sat Dec 16 16:52:20 UTC 2023
PRIMARY Merck Index
EVMPD
SUB05885MIG
Created by admin on Sat Dec 16 16:52:20 UTC 2023 , Edited by admin on Sat Dec 16 16:52:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID00242165
Created by admin on Sat Dec 16 16:52:20 UTC 2023 , Edited by admin on Sat Dec 16 16:52:20 UTC 2023
PRIMARY
DRUG BANK
DB03523
Created by admin on Sat Dec 16 16:52:20 UTC 2023 , Edited by admin on Sat Dec 16 16:52:20 UTC 2023
PRIMARY
CAS
96187-53-0
Created by admin on Sat Dec 16 16:52:20 UTC 2023 , Edited by admin on Sat Dec 16 16:52:20 UTC 2023
PRIMARY
WIKIPEDIA
Brequinar
Created by admin on Sat Dec 16 16:52:20 UTC 2023 , Edited by admin on Sat Dec 16 16:52:20 UTC 2023
PRIMARY
PUBCHEM
57030
Created by admin on Sat Dec 16 16:52:20 UTC 2023 , Edited by admin on Sat Dec 16 16:52:20 UTC 2023
PRIMARY
MESH
C046943
Created by admin on Sat Dec 16 16:52:20 UTC 2023 , Edited by admin on Sat Dec 16 16:52:20 UTC 2023
PRIMARY
FDA UNII
5XL19F49H6
Created by admin on Sat Dec 16 16:52:20 UTC 2023 , Edited by admin on Sat Dec 16 16:52:20 UTC 2023
PRIMARY
INN
6204
Created by admin on Sat Dec 16 16:52:20 UTC 2023 , Edited by admin on Sat Dec 16 16:52:20 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY