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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: Beilstein:6036780;   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 19904
    role 19880
      application 19715
        pharmaceutical 19552
          drug 19552
            bone density conservation agent 6057
              raloxifene hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19904
    subatomic particle 19902
      composite particle 19902
        hadron 19902
          baryon 19902
            nucleon 19902
              atomic nucleus 19902
                atom 19902
                  main group element atom 19852
                    p-block element atom 19852
                      halogen 18694
                        chlorine atom 18501
                          chlorine molecular entity 18501
                            elemental chlorine 8540
                              monoatomic chlorine 8525
                                chloride 8525
                                  chloride salt 8525
                                    organic chloride salt 1078
                                      hydrochloride 715
                                        raloxifene hydrochloride 0
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