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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-07-09 16:07:08 UTC
Update Date2021-09-14 15:02:27 UTC
HMDB IDHMDB0060917
Secondary Accession Numbers
  • HMDB60917
Metabolite Identification
Common Name4'-Hydroxyflurbiprofen
Description4'-Hydroxyflurbiprofen is a metabolite of flurbiprofen. Flurbiprofen is a member of the phenylalkanoic acid derivative family of non-steroidal anti-inflammatory drugs (NSAIDs) used to treat the inflammation and pain of arthritis. It is known by the following tradenames: Urbifen marketed by General Pharmaceuticals, Ansaid, marketed by Pfizer, Flurwood by W. Woodward and Froben, by Abbott. Flurbiprofen is also used as an active ingredient in some kinds of throat lozenges. (Wikipedia)
Structure
Data?1563866122
Synonyms
ValueSource
4'-Hydroxyflurbiprofen, (R)-isomerHMDB
4'-Hydroxyflurbiprofen, (+-)-isomerHMDB
4'-Hydroxyflurbiprofen, (S)-isomerHMDB
Chemical FormulaC15H13FO3
Average Molecular Weight260.2603
Monoisotopic Molecular Weight260.084872487
IUPAC Name2-[3-fluoro-4-(4-hydroxyphenyl)phenyl]propanoic acid
Traditional Name2-[3-fluoro-4-(4-hydroxyphenyl)phenyl]propanoic acid
CAS Registry NumberNot Available
SMILES
CC(C(O)=O)C1=CC(F)=C(C=C1)C1=CC=C(O)C=C1
InChI Identifier
InChI=1S/C15H13FO3/c1-9(15(18)19)11-4-7-13(14(16)8-11)10-2-5-12(17)6-3-10/h2-9,17H,1H3,(H,18,19)
InChI KeyGTSMMBJBNJDFRA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBiphenyls and derivatives
Direct ParentBiphenyls and derivatives
Alternative Parents
Substituents
  • Biphenyl
  • 2-phenylpropanoic-acid
  • P-cymene
  • Aromatic monoterpenoid
  • Monoterpenoid
  • Monocyclic monoterpenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Fluorobenzene
  • Halobenzene
  • Aryl fluoride
  • Aryl halide
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Carbonyl group
  • Organofluoride
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organohalogen compound
  • Organic oxide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane (predicted from logP)
Biospecimen Locations
  • Blood
  • Urine
Tissue Locations
  • Kidney
  • Liver
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableNormal
      Not Available
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound157678
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available