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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:clomiphene citrate
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Accession:CHEBI:3753 term browser browse the term
Definition:A citrate salt that has formula C26H28ClNO.C6H8O7.
Synonyms:exact_synonym: 2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate
 related_synonym: Clomifene citrate;   Clomiphene dihydrogen citrate;   Formula=C26H28ClNO.C6H8O7;   Formula=C32H36ClNO8;   InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);   InChIKey=PYTMYKVIJXPNBD-UHFFFAOYSA-N;   SMILES=[H+].[H+].[H+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.CCN(CC)CCOc1ccc(cc1)C(c1ccccc1)=C(Cl)c1ccccc1
 xref: Beilstein:5223439;   CAS:50-41-9;   DrugBank:DB00882;   KEGG:D00962


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Term Annotations click to browse term
  CHEBI ontology 19848
    role 19824
      application 19668
        pharmaceutical 19508
          drug 19508
            anti-estrogen 52
              clomiphene citrate 0
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Term Annotations click to browse term
  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    main group molecular entity 19796
                      s-block molecular entity 19629
                        hydrogen molecular entity 19616
                          hydrides 19122
                            inorganic hydride 18123
                              pnictogen hydride 18112
                                nitrogen hydride 18019
                                  azane 17826
                                    ammonia 17825
                                      organic amino compound 17825
                                        tertiary amino compound 10141
                                          tertiary amine 644
                                            clomiphene 54
                                              clomiphene citrate 0
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