CHEBI:48296 - diclofenac epolamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name diclofenac epolamine
ChEBI ID CHEBI:48296
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H24Cl2N2O3
Net Charge 0
Average Mass 411.32164
Monoisotopic Mass 410.116
InChI InChI=1S/C14H11Cl2NO2.C6H13NO/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;8-6-5-7-3-1-2-4-7/h1-7,17H,8H2,(H,18,19);8H,1-6H2
InChIKey DCERVXIINVUMKU-UHFFFAOYSA-N
SMILES [H][N+]1(CCO)CCCC1.[O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
ChEBI Ontology
Outgoing diclofenac epolamine (CHEBI:48296) has part 1-(2-hydroxyethyl)pyrrolidinium (CHEBI:48312)
diclofenac epolamine (CHEBI:48296) has part diclofenac(1−) (CHEBI:48311)
diclofenac epolamine (CHEBI:48296) is a organic salt (CHEBI:24868)
IUPAC Name
1-(2-hydroxyethyl)pyrrolidinium {2-[(2,6-dichlorophenyl)amino]phenyl}acetate
Synonyms Sources
DHEP ChemIDplus
diclofenac 1-(2-hydroxyethyl)pyrrolidinium salt ChemIDplus
diclofenac hydroxyethylpyrrolidine ChemIDplus
diclofenac-epolamine ChemIDplus
DIEP ChemIDplus
Registry Numbers Types Sources
119623-66-4 CAS Registry Number ChemIDplus
6837284 Beilstein Registry Number Beilstein
Last Modified
23 January 2008