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> Main
CHEBI:133197 - 2-hydroxyibuprofen
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ChEBI Name
2-hydroxyibuprofen
ChEBI ID
CHEBI:133197
Definition
A hydroxy monocarboxylic acid that is ibuprofen in which the methine proton on the isobutyl group has been replaced by a hydroxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C13H18O3
Net Charge
0
Average Mass
222.281
Monoisotopic Mass
222.12559
InChI
InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)
InChIKey
UJHKVYPPCJBOSG-UHFFFAOYSA-N
SMILES
C=1C=C(C=CC1C(C(=O)O)C)CC(O)(C)C
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
drug metabolite
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-hydroxyibuprofen (
CHEBI:133197
)
has role
drug metabolite (
CHEBI:49103
)
2-hydroxyibuprofen (
CHEBI:133197
)
is a
hydroxy monocarboxylic acid (
CHEBI:35868
)
2-hydroxyibuprofen (
CHEBI:133197
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid
Synonyms
Sources
2,4'-(2-Hydroxy-2-methylpropyl)phenylpropionic acid
ChemIDplus
Hydroxyibuprofen
ChemIDplus
Ibuprofen OH
ChemIDplus
Manual Xref
Database
HMDB0060920
HMDB
View more database links
Registry Numbers
Types
Sources
3051852
Reaxys Registry Number
Reaxys
51146-55-5
CAS Registry Number
ChemIDplus
Citation
Type
Source
21079932
PubMed citation
Europe PMC
Last Modified
08 September 2016