EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:61752
ChEBI Name5-[2-(2-oxoethoxy)ethoxy]-diclofenac
Stars
DefinitionA 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.
Last Modified12 March 2019
SubmitterSteve
DownloadsMolfile
FormulaC18H17Cl2NO5
Net Charge0
Average Mass398.242
Monoisotopic Mass397.04838
SMILES[H]C(=O)COCCOc1ccc(Nc2c(Cl)cccc2Cl)c(CC(=O)O)c1
InChIInChI=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)
InChIKeyDEQMKNZAJVYQCL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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 Relation(s)
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
DF5derChEBI
Citations