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CHEBI:5855 - ibuprofen

ChEBI IDCHEBI:5855
ChEBI Nameibuprofen
Stars
DefinitionA monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(2-methylpropyl)phenyl group.
Last Modified26 October 2021
DownloadsMolfile

FormulaC13H18O2
Net Charge0
Average Mass206.285
Monoisotopic Mass206.13068
SMILESCC(C)Cc1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChIKeyHEFNNWSXXWATRW-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
2-[4-(2-methylpropyl)phenyl]propanoic acid
Synonyms  Source
IbuprofenKEGG COMPOUND
(±)-2-(p-isobutylphenyl)propionic acidChemIDplus
(±)-α-methyl-4-(2-methylpropyl)benzeneacetic acidChemIDplus
(±)-p-isobutylhydratropic acidChemIDplus
(4-isobutylphenyl)-α-methylacetic acidChemIDplus
(RS)-ibuprofenChemIDplus
Brand Names  Source
DolgiridDrugBank
MotrinDrugBank
TabalonDrugBank
NuprinDrugBank
BuburoneDrugBank
AdranDrugBank
Manual XrefsDatabases
C01588KEGG COMPOUND
D00126KEGG DRUG
DB01050DrugBank
GB971700Patent
US3228831Patent
US3385886Patent
US6727286Patent
US5215755Patent
IbuprofenWikipedia
HMDB0001925HMDB
LSM-1354LINCS
1407DrugCentral
Registry NumbersSources
Reaxys:2049713Reaxys
CAS:15687-27-1KEGG COMPOUND
CAS:15687-27-1NIST Chemistry WebBook
CAS:15687-27-1ChemIDplus
Citations