brequinar sodium
CHEBI:177871
·resolve ·ANTIVIRAL
·EXACT
SEEDED
An organic sodium salt of brequinar. — ChEBI
Machine-generated and unreviewed. Identity, structure and
cross-references come straight from ChEBI's and CARD's own data; no curator has
signed off on this record yet.
Classification
Strictly broader compounds or drug classes this molecule belongs to.
Chemical structure
Computed structure properties
| Molecular formula | C23H14F2NO2.Na |
|---|
| Charge | 0 |
|---|
| Average mass | 397.356 Da |
|---|
| Monoisotopic mass | 397.08903 Da |
|---|
| Source | ChEBI |
|---|
| InChIKey | PZOHOALJQOFNTB-UHFFFAOYSA-M |
|---|
SMILES
Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)[O-].[Na+]
InChI
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
Also called
- sodium 6-fluoro-2-(2'-fluoro[biphenyl]-4-yl)-3-methylquinoline-4-carboxylate (EXACT_SYNONYM)— chebi
- 6-fluoro-2-(2'-fluoro-1,1'-biphenyl-4-yl)-3-methyl-4-quinoline-carboxylic acid sodium salt (EXACT_SYNONYM)— chebi
- DUP 785 (EXACT_SYNONYM)— chebi
- DUP-785 (EXACT_SYNONYM)— chebi
- NSC 368390 (EXACT_SYNONYM)— chebi
- NSC-368390 (EXACT_SYNONYM)— chebi
- brequinar sodium salt (EXACT_SYNONYM)— chebi
- sodium 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylate (EXACT_SYNONYM)— chebi
Cross-references
Equivalent identifiers for this same structure in other resources.
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
Source concepts
Every upstream concept that resolved to this record. The merge is
the product: this is what shows ChEBI and CARD are describing the same structure.
Upstream concepts merged into this record
| Source | Native ID | Label | Minted CURIE | Version |
|---|
| CHEBI |
CHEBI:177871 |
brequinar sodium |
antibioticmech:chebi-5b4f2ac15e |
2026-08-30 |
Curation history
-
SEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
-
RESEEDED_FROM_SOURCES
2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
Provenance
Seeded by scripts/seed_from_sources.py from the committed
inventories in data/raw/.
View the record.