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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:diclofenac epolamine
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Accession:CHEBI:48296 term browser browse the term
Definition:An organic salt that has formula C20H24Cl2N2O3.
Synonyms:exact_synonym: 1-(2-hydroxyethyl)pyrrolidinium {2-[(2,6-dichlorophenyl)amino]phenyl}acetate
 related_synonym: DHEP;   DIEP;   Formula=C20H24Cl2N2O3;   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;   diclofenac 1-(2-hydroxyethyl)pyrrolidinium salt;   diclofenac hydroxyethylpyrrolidine
 xref: Beilstein:6837284;   CAS:119623-66-4

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      molecular entity 0
        ion 0
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            salt 0
              organic salt 0
                diclofenac epolamine 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organic heteromonocyclic compound 0
                                    pyrrolidines 0
                                      1-(2-hydroxyethyl)pyrrolidinium 0
                                        diclofenac epolamine 0
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