5,7-Dichlorokynurenic Acid

HCID 1779CAS 131123-76-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1
InChIKey
BGKFPRIGXAVYNX-UHFFFAOYSA-N
Molecular formula
C10H5Cl2NO3
Average molar mass
258.05 g/mol
Monoisotopic mass
256.96464838

Overview

5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid is a member of quinolines.

Names & identifiers

Preferred name
5,7-Dichlorokynurenic Acid
IUPAC
5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
English name
5,7-Dichlorokynurenic acid
Molecular formula
C10H5Cl2NO3
Molecular weight
258.06

Names & synonyms

5,7-Dichlorokynurenic acid131123-76-75,7-Dcka5,7-Dichloroquinurenic acid5,7-Dichorokynurenic acid5,7-Dichloro-4-hydroxy-2-quinolinecarboxylic acid5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid2-Quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy-T61ORK73PYDTXSID80893710RefChem:101330DTXCID70872852
Show more names
7-DCKA5,7-Dichlorokynureni7-Dichlorokynurenic acidKynurenic Acid Impurity 27-dichlorokynurenic acid sodium5,7-dichlorokynurenic acid sodium
5,7-DICHLORO-4-HYDROXYQUINOLINE-2-CARBOXYLIC ACIDMFCD00083173CHEMBL50267DCKA1pbqSR-01000075445UNII-T61ORK73PY123158-59-8

Database identifiers

CAS
131123-76-7
PubChem CID
1779
DTXSID
DTXSID80893710
ChEMBL
CHEMBL50267
ChEBI
CHEBI:107660
UNII
T61ORK73PY
Nikkaji
J362.160J、J377.344B

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
16

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Boiling point
488.5 · 488.5±45.0 °C(Predicted)
Density
1.701 · 1.701±0.06 g/cm3(Predicted)
storage temp.
Desiccate at RT
solubility
0.1 M · 0.1 M NaOH: soluble
form
solid
pka
3.3 · 3.30±0.40(Predicted)

Safety & regulation

Safety data

wgk
3
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationDrugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.

Applications

Uses5,7-Dichlorokynurenic acid is a potent NMDA receptor glycine binding site antagonist.

Suppliers33 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]

Additional notes

DefinitionChEBI: 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid is a member of quinolines.

Related reactions

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