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> Main
CHEBI:59612 - 5-hydroxydiclofenac
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ChEBI Ontology
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ChEBI Name
5-hydroxydiclofenac
ChEBI ID
CHEBI:59612
Definition
A monocarboxylic acid that is the 5-hydroxylated metabolite of diclofenac.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C14H11Cl2NO3
Net Charge
0
Average Mass
312.14800
Monoisotopic Mass
311.01160
InChI
InChI=1S/C14H11Cl2NO3/c15-
10-
2-
1-
3-
11(16)
14(10)
17-
12-
5-
4-
9(18)
6-
8(12)
7-
13(19)
20/h1-
6,17-
18H,7H2,(H,19,20)
InChIKey
VNQURRWYKFZKJZ-UHFFFAOYSA-N
SMILES
OC(=O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
drug metabolite
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
5-hydroxydiclofenac (
CHEBI:59612
)
has functional parent
diclofenac (
CHEBI:47381
)
5-hydroxydiclofenac (
CHEBI:59612
)
has role
allergen (
CHEBI:50904
)
5-hydroxydiclofenac (
CHEBI:59612
)
has role
drug metabolite (
CHEBI:49103
)
5-hydroxydiclofenac (
CHEBI:59612
)
is a
dichlorobenzene (
CHEBI:23697
)
5-hydroxydiclofenac (
CHEBI:59612
)
is a
monocarboxylic acid (
CHEBI:25384
)
5-hydroxydiclofenac (
CHEBI:59612
)
is a
phenols (
CHEBI:33853
)
5-hydroxydiclofenac (
CHEBI:59612
)
is a
secondary amino compound (
CHEBI:50995
)
IUPAC Name
{2-[(2,6-dichlorophenyl)amino]-5-hydroxyphenyl}acetic acid
Synonyms
Sources
2-[(2,6-Dichloroanilino)-5-hydroxyphenyl]acetic acid
ChemIDplus
5-hydroxy diclofenac
ChEBI
5-OH DCF
ChEBI
5-OH-DCF
ChEBI
Registry Numbers
Types
Sources
4199419
Reaxys Registry Number
Reaxys
69002-84-2
CAS Registry Number
ChemIDplus
Citations
Types
Sources
10027798
PubMed citation
Europe PMC
10027801
PubMed citation
Europe PMC
10449188
PubMed citation
Europe PMC
12734606
PubMed citation
Europe PMC
14609740
PubMed citation
Europe PMC
15139759
PubMed citation
Europe PMC
15265128
PubMed citation
Europe PMC
17123753
PubMed citation
Europe PMC
18548238
PubMed citation
Europe PMC
18800545
PubMed citation
Europe PMC
2118185
PubMed citation
Europe PMC
23208430
PubMed citation
Europe PMC
28166217
PubMed citation
Europe PMC
7479564
PubMed citation
Europe PMC
9114978
PubMed citation
Europe PMC
9862754
PubMed citation
Europe PMC
Last Modified
12 March 2019