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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:raloxifene hydrochloride
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Accession:CHEBI:50740 term browser browse the term
Definition:A hydrochloride salt resulting from the reaction of equimolar amounts of raloxifene and hydrogen chloride.
Synonyms:exact_synonym: 1-[2-(4-{[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]carbonyl}phenoxy)ethyl]piperidinium chloride;   [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-piperidin-1-ylethoxy)phenyl]methanone hydrochloride
 related_synonym: 6-Hydroxy-2-(p-hydroxyphenyl)benzo(b)thien-3-yl-p-(2-piperidinoethoxy)phenyl ketone, hydrochloride;   Evista;   Formula=C28H27NO4S.HCl;   Formula=C28H28ClNO4S;   InChI=1S/C28H27NO4S.ClH/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29;/h4-13,18,30-31H,1-3,14-17H2;1H;   InChIKey=BKXVVCILCIUCLG-UHFFFAOYSA-N;   SMILES=S1C(=C(C2=C1C=C(O)C=C2)C(=O)C3=CC=C(OCCN4CCCCC4)C=C3)C5=CC=C(O)C=C5.Cl
 xref: CAS:82640-04-8;   DrugBank:DB00481;   KEGG:D02217;   PMID:10098223;   PMID:11006795;   PMID:11951945;   PMID:21562721;   PMID:22888234;   PMID:22889955;   PMID:23293211;   PMID:24228255;   PMID:25037077;   PMID:25246789;   PMID:25348734;   Reaxys:6036780


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19880
    role 19850
      application 19695
        pharmaceutical 19532
          drug 19532
            bone density conservation agent 6064
              raloxifene hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      halogen 18678
                        chlorine atom 18462
                          chlorine molecular entity 18462
                            elemental chlorine 8778
                              monoatomic chlorine 8763
                                chloride 8763
                                  chloride salt 8763
                                    organic chloride salt 1103
                                      hydrochloride 735
                                        raloxifene hydrochloride 0
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