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CHEBI:177870 - brequinar(1−)

ChEBI IDCHEBI:177870
ChEBI Namebrequinar(1−)
Stars
ASCII Namebrequinar(1-)
DefinitionA quinolinemonocarboxylate that is the conjugate base of brequinar arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
Last Modified18 August 2021
SubmitterAdnan
DownloadsMolfile
FormulaC23H14F2NO2
Net Charge-1
Average Mass374.366
Monoisotopic Mass374.09981
SMILESCc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccc(F)cc2c1C(=O)[O-]
InChIInChI=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)/p-1
InChIKeyPHEZJEYUWHETKO-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
brequinar(1−) (CHEBI:177870) is a quinolinemonocarboxylate (CHEBI:38773)
brequinar(1−) (CHEBI:177870) is conjugate base of brequinar (CHEBI:177387)
Incoming Relation(s)
brequinar sodium (CHEBI:177871) has part brequinar(1−) (CHEBI:177870)
brequinar (CHEBI:177387) is conjugate acid of brequinar(1−) (CHEBI:177870)
IUPAC Name 
6-fluoro-2-(2'-fluoro[biphenyl]-4-yl)-3-methylquinoline-4-carboxylate
Synonyms  Source
6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylateIUPAC
brequinar anionChEBI