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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:oxybutynin chloride
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Accession:CHEBI:7857 term browser browse the term
Definition:A hydrochloride that has formula C22H32ClNO3.
Synonyms:exact_synonym: 4-(diethylamino)but-2-yn-1-yl cyclohexyl(hydroxy)phenylacetate hydrochloride
 related_synonym: 4-(Diethylamino)-2-butynyl alpha-phenylcyclohexaneglycolate hydrochloride;   4-Diethylamino-2-butynyl phenyl(cyclohexyl)glycolate hydrochloride;   Formula=C22H31NO3.HCl;   Formula=C22H32ClNO3;   InChI=1S/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H;   InChIKey=SWIJYDAEGSIQPZ-UHFFFAOYSA-N;   SMILES=[H+].[Cl-].CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1
 xref: Beilstein:4833152;   CAS:1508-65-2;   DrugBank:DB01062;   KEGG:D00722


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Term Annotations click to browse term
  CHEBI ontology 19811
    chemical entity 19840
      chemical substance 14383
        mixture 13700
          racemate 12074
            oxybutynin 12
              oxybutynin chloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    main group molecular entity 19759
                      s-block molecular entity 19628
                        hydrogen molecular entity 19614
                          hydrides 19087
                            inorganic hydride 18091
                              pnictogen hydride 18080
                                nitrogen hydride 17987
                                  azane 17796
                                    ammonia 17795
                                      organic amino compound 17795
                                        tertiary amino compound 10124
                                          4-(diethylamino)but-2-yn-1-ol 12
                                            esoxybutynin 12
                                              oxybutynin 12
                                                oxybutynin chloride 0
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