EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:76229 - ketorolac(1−)

ChEBI IDCHEBI:76229
ChEBI Nameketorolac(1−)
Stars
ASCII Nameketorolac(1-)
DefinitionA monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of ketorolac. The major species at pH 7.3.
Last Modified8 November 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H12NO3
Net Charge-1
Average Mass254.265
Monoisotopic Mass254.08227
SMILESO=C(c1ccccc1)c1ccc2n1CCC2C(=O)[O-]
InChIInChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/p-1
InChIKeyOZWKMVRBQXNZKK-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
ketorolac(1−) (CHEBI:76229) is a amino-acid anion (CHEBI:37022)
ketorolac(1−) (CHEBI:76229) is a monocarboxylic acid anion (CHEBI:35757)
ketorolac(1−) (CHEBI:76229) is conjugate base of ketorolac (CHEBI:6129)
Incoming Relation(s)
ketorolac tromethamine (CHEBI:6130) has part ketorolac(1−) (CHEBI:76229)
ketorolac (CHEBI:6129) is conjugate acid of ketorolac(1−) (CHEBI:76229)
IUPAC Name 
rac-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate