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CHEBI:48296 - diclofenac epolamine

ChEBI IDCHEBI:48296
ChEBI Namediclofenac epolamine
Stars
Last Modified23 January 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC14H10Cl2NO2.C6H14NO
Net Charge0
Average Mass411.329
Monoisotopic Mass410.11640
SMILESO=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[H][N+]1(CCO)CCCC1
InChIInChI=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
InChIKeyDCERVXIINVUMKU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
diclofenac hydroxyethylpyrrolidineChemIDplus
diclofenac-epolamineChemIDplus
DHEPChemIDplus
DIEPChemIDplus
diclofenac 1-(2-hydroxyethyl)pyrrolidinium saltChemIDplus
Registry NumbersSources
Beilstein:6837284Beilstein
CAS:119623-66-4ChemIDplus