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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:gevotroline hydrochloride
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Accession:CHEBI:141549 term browser browse the term
Definition:A hydrochloride salt resulting from the reaction of equimolar amounts of gevotroline and hydrogen chloride.
Synonyms:exact_synonym: 8-fluoro-2-[3-(pyridin-3-yl)propyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloride
 related_synonym: 8-fluoro-2,3,4,5-tetrahydro-2-(3-(3-pyridyl)propyl)-1H-pyrido(4,3-b)indole monohydrochloride;   Formula=C19H21ClFN3;   InChI=1S/C19H20FN3.ClH/c20-15-5-6-18-16(11-15)17-13-23(10-7-19(17)22-18)9-2-4-14-3-1-8-21-12-14;/h1,3,5-6,8,11-12,22H,2,4,7,9-10,13H2;1H;   InChIKey=KJROJWRPNPSEGV-UHFFFAOYSA-N;   SMILES=N1(CC2=C(CC1)NC=3C=CC(=CC23)F)CCCC4=CN=CC=C4.Cl;   gevotroline HCl
 xref: CAS:112243-58-0;   Chemspider:54578;   KEGG:D02663;   PMID:1675451;   PMID:2888898;   PMID:29453015;   Reaxys:15397146


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  CHEBI ontology 0
    role 0
      biological role 0
        pharmacological role 0
          antagonist 0
            dopamine receptor D2 antagonist 0
              gevotroline hydrochloride 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
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  ammonium 0
                                    ammonium ion derivative 0
                                      gevotroline(1+) 0
                                        gevotroline hydrochloride 0
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