5-[2-(2-oxoethoxy)ethoxy]-diclofenac (CHEBI:61752)

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ChEBI Name	5-[2-(2-oxoethoxy)ethoxy]-diclofenac

ChEBI ID	CHEBI:61752

Definition	A member of the class of phenylacetic acids that is phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position and a 2-(2-oxoethoxy)ethoxy group at the 5-position.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H17Cl2NO5

Net Charge

Average Mass

398.23700

Monoisotopic Mass

397.04838

InChI

InChI=1S/C18H17Cl2NO5/c19-14-2-1-3-15(20)18(14)21-16-5-4-13(10-12(16)11-17(23)24)26-9-8-25-7-6-22/h1-6,10,21H,7-9,11H2,(H,23,24)

InChIKey

DEQMKNZAJVYQCL-UHFFFAOYSA-N

SMILES

[H]C(=O)COCCOc1ccc(Nc2c(Cl)cccc2Cl)c(CC(O)=O)c1

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

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.

ChEBI Ontology
Outgoing	5-[2-(2-oxoethoxy)ethoxy]-diclofenac (CHEBI:61752) has functional parent diphenylamine (CHEBI:4640) 5-[2-(2-oxoethoxy)ethoxy]-diclofenac (CHEBI:61752) has functional parent phenylacetic acid (CHEBI:30745) 5-[2-(2-oxoethoxy)ethoxy]-diclofenac (CHEBI:61752) has role allergen (CHEBI:50904) 5-[2-(2-oxoethoxy)ethoxy]-diclofenac (CHEBI:61752) is a dichlorobenzene (CHEBI:23697) 5-[2-(2-oxoethoxy)ethoxy]-diclofenac (CHEBI:61752) is a phenylacetic acids (CHEBI:25978)

IUPAC Name

{2-[(2,6-dichlorophenyl)amino]-5-[2-(2-oxoethoxy)ethoxy]phenyl}acetic acid

Synonym	Source
DF5der	ChEBI

Citation	Type	Source
21060839	PubMed citation	Europe PMC

Last Modified

12 March 2019