U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C23H14F2NO2.Na
Molecular Weight 397.3493
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BREQUINAR SODIUM

SMILES

[Na+].CC1=C(N=C2C=CC(F)=CC2=C1C([O-])=O)C3=CC=C(C=C3)C4=C(F)C=CC=C4

InChI

InChIKey=PZOHOALJQOFNTB-UHFFFAOYSA-M
InChI=1S/C23H15F2NO2.Na/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);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
BREQUINAR SODIUM
MART.   USAN   WHO-DD  
USAN  
Official Name English
BREQUINAR SODIUM [USAN]
Common Name English
4-QUINOLINECARBOXYLIC ACID, 6-FLUORO-2-(2'-FLUORO(1,1'-BIPHENYL)-4-YL)-3-METHYL-, SODIUM SALT
Common Name English
NSC-368390
Code English
Brequinar sodium [WHO-DD]
Common Name English
BREQUINAR SODIUM [MART.]
Common Name English
BREQUINAR SODIUM SALT [MI]
Common Name English
BREQUINAR SODIUM SALT
MI  
Common Name English
DUP 785
Code English
6-FLUORO-2-(2'-FLUORO-1,1'-BIPHENYL-4-YL)-3-METHYL-4-QUINOLINECARBOXYLIC ACID SODIUM
Systematic Name English
DUP-785
Code English
Classification Tree Code System Code
NCI_THESAURUS C2169
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
NCI_THESAURUS C1557
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL38434
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID30242173
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
PRIMARY
MERCK INDEX
m2646
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
PRIMARY Merck Index
PUBCHEM
23663964
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
PRIMARY
DRUG BANK
DBSALT002498
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
PRIMARY
FDA UNII
49EEF6HRUS
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
PRIMARY
USAN
Z-2
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
PRIMARY
NCI_THESAURUS
C1078
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
PRIMARY
CHEBI
177871
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
PRIMARY
CAS
96201-88-6
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
PRIMARY
NSC
368390
Created by admin on Fri Dec 15 15:33:19 UTC 2023 , Edited by admin on Fri Dec 15 15:33:19 UTC 2023
PRIMARY
ACTIVE MOIETY
Structure of BREQUINAR
SUBSTANCE RECORD
Structure of BREQUINAR SODIUM
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966