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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:deptropine citrate
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Accession:CHEBI:50190 term browser browse the term
Definition:A citrate salt that is the dihydrogen citrate salt of deptropamine.
Synonyms:exact_synonym: (3-endo)-3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane 2-hydroxypropane-1,2,3-tricarboxylate
 related_synonym: Brontina;   Deptrin;   Deptropine FNA;   Dibenzheptropine citrate;   Formula=C23H27NO.C6H8O7;   Formula=C29H35NO8;   InChI=1S/C23H27NO.C6H8O7/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-9,18-20,23H,10-15H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t18-,19+,20+;;   InChIKey=CHQGYMXXKZPWOI-BWSPSPBFSA-N;   SMILES=OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC1c2ccccc2CCc2ccccc12;   deptropine dihydrogen citrate
 xref: Beilstein:4106261;   CAS:2169-75-7;   KEGG:D07790;   Reaxys:4106261


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19787
    role 19734
      biological role 19734
        pharmacological role 18797
          antagonist 16197
            histamine antagonist 4603
              H1-receptor antagonist 4099
                deptropine citrate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19787
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19574
                        carbon atom 19563
                          organic molecular entity 19563
                            organic molecule 19488
                              organic cyclic compound 19285
                                organic heterocyclic compound 18410
                                  organic heteropolycyclic compound 17824
                                    organic heterobicyclic compound 16744
                                      azabicycloalkane 1987
                                        tropane alkaloid 1550
                                          tropine 97
                                            deptropine 1
                                              deptropine citrate 0
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