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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:N-methylquipazine dimaleate
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Accession:CHEBI:64162 term browser browse the term
Definition:A maleate salt obtained by reaction of N-methylquipazine with two equivalents of maleic acid. A 5-HT3 agonist. Has almost the same affinity for 5-HT3 sites as quipazine but unlike the latter, does not bind to 5-HT1B sites.
Synonyms:exact_synonym: 2-(4-methylpiperazin-1-yl)quinoline di[(2Z)-but-2-enedioate]
 related_synonym: 2-(4-methylpiperazin-1-yl)quinoline dimaleate;   2-(4-methylpiperazin-1-yl)quinoline maleate;   Formula=C22H25N3O8;   InChI=1S/C14H17N3.2C4H4O4/c1-16-8-10-17(11-9-16)14-7-6-12-4-2-3-5-13(12)15-14;2*5-3(6)1-2-4(7)8/h2-7H,8-11H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-;   InChIKey=HNSITEGFVDCKMF-SPIKMXEPSA-N;   N-methylquipazine maleate;   SMILES=[H+].[H+].[H+].[H+].[O-]C(=O)\\C=C/C([O-])=O.[O-]C(=O)\\C=C/C([O-])=O.CN1CCN(CC1)c1ccc2ccccc2n1
 xref: Reaxys:7614127


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Term Annotations click to browse term
  CHEBI ontology 20862
    role 20820
      application 20621
        pro-agent 12349
          prodrug 12109
            N-methylquipazine dimaleate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20862
    subatomic particle 20860
      composite particle 20860
        hadron 20860
          baryon 20860
            nucleon 20860
              atomic nucleus 20860
                atom 20860
                  main group element atom 20781
                    main group molecular entity 20781
                      s-block molecular entity 20574
                        hydrogen molecular entity 20558
                          hydrides 19693
                            inorganic hydride 18602
                              pnictogen hydride 18589
                                nitrogen hydride 18502
                                  azane 18262
                                    ammonia 18261
                                      organic amino compound 18261
                                        aromatic amine 15832
                                          aminoquinoline 1772
                                            N-methylquipazine 1
                                              N-methylquipazine dimaleate 0
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