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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:3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol hydrochloride
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Accession:CHEBI:64057 term browser browse the term
Definition:A hydrochloride that is the monohydrochloride salt of 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol. A selective h5-HT1D antagonist, displaying 60-fold selectivity over h5-HT1B, and exhibiting little or no affinity for a range of other receptor types.
Synonyms:exact_synonym: 4-(3-chlorophenyl)-1-(2-hydroxy-3,3-diphenylpropyl)piperazin-1-ium chloride
 related_synonym: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol monohydrochloride;   BRL 15572 hydrochloride;   BRL 15572 monohydrochloride;   Formula=C25H28Cl2N2O;   InChI=1S/C25H27ClN2O.ClH/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21;/h1-13,18,24-25,29H,14-17,19H2;1H;   InChIKey=KQGJIKWDFWLCHO-UHFFFAOYSA-N;   SMILES=Cl.OC(CN1CCN(CC1)c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1
 xref: Chemspider:10131725;   Reaxys:9024485


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Path 1
Term Annotations click to browse term
  CHEBI ontology 20841
    role 20801
      application 20602
        pro-agent 12328
          prodrug 12106
            3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20841
    subatomic particle 20839
      composite particle 20839
        hadron 20839
          baryon 20839
            nucleon 20839
              atomic nucleus 20839
                atom 20839
                  main group element atom 20762
                    p-block element atom 20786
                      halogen 19172
                        chlorine atom 18938
                          chlorine molecular entity 18938
                            elemental chlorine 10239
                              monoatomic chlorine 10217
                                chloride 10217
                                  chloride salt 10217
                                    organic chloride salt 1113
                                      hydrochloride 745
                                        3-[4-(3-chlorophenyl)piperazin-1-yl]-1,1-diphenylpropan-2-ol hydrochloride 0
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