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CHEBI:100147 - nalidixic acid

ChEBI IDCHEBI:100147
ChEBI Namenalidixic acid
Stars
DefinitionA monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively. An orally administered antibacterial, it is used in the treatment of lower urinary-tract infections due to Gram-negative bacteria, including the majority of E. coli, Enterobacter, Klebsiella, and Proteus species.
Secondary ChEBI IDCHEBI:7456
Last Modified19 June 2017
DownloadsMolfile

FormulaC12H12N2O3
Net Charge0
Average Mass232.239
Monoisotopic Mass232.08479
SMILESCCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyMHWLWQUZZRMNGJ-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
INNs  Source
acido nalidixico  esChemIDplus
nalidixic acidChemIDplus
acidum nalidixicum  laChemIDplus
acide nalidixique  frChemIDplus
Synonyms  Source
Nalidixic acidKEGG COMPOUND
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acidChEMBL
NALIDIXIC ACIDChEMBL
1-ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acidChemIDplus
3-carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-oneChemIDplus
1,4-dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acidChemIDplus
Manual XrefsDatabases
C05079KEGG COMPOUND
D00183KEGG DRUG
DB00779DrugBank
BE612258Patent
US3590036Patent
Nalidixic_AcidWikipedia
NIXPDBeChem
LSM-5590LINCS
1875DrugCentral
1880VSDB
Registry NumbersSources
Reaxys:750515Reaxys
CAS:389-08-2KEGG COMPOUND
CAS:389-08-2ChemIDplus
Citations