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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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  CHEBI ontology 19860
    role 19832
      application 19675
        pro-agent 11550
          prodrug 11310
            N-methylquipazine dimaleate 0
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  CHEBI ontology 19860
    subatomic particle 19858
      composite particle 19858
        hadron 19858
          baryon 19858
            nucleon 19858
              atomic nucleus 19858
                atom 19858
                  main group element atom 19804
                    main group molecular entity 19804
                      s-block molecular entity 19637
                        hydrogen molecular entity 19618
                          hydrides 19124
                            inorganic hydride 18133
                              pnictogen hydride 18122
                                nitrogen hydride 18030
                                  azane 17837
                                    ammonia 17836
                                      organic amino compound 17836
                                        aromatic amine 15490
                                          aminoquinoline 1743
                                            N-methylquipazine 1
                                              N-methylquipazine dimaleate 0
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