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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:bethanechol chloride
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Accession:CHEBI:3085 term browser browse the term
Definition:The chloride salt of bethanechol. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention.
Synonyms:exact_synonym: 2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium chloride
 related_synonym: (2-hydroxypropyl)trimethylammonium chloride carbamate;   2-((aminocarbonyl)oxy)-N,N,N-trimethyl-1-propanaminium chloride;   2-carbamoyloxypropyltrimethylammonium chloride;   Formula=C7H17ClN2O2;   InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H;   InChIKey=XXRMYXBSBOVVBH-UHFFFAOYSA-N;   SMILES=[Cl-].CC(C[N+](C)(C)C)OC(N)=O;   trimethyl(2-carbamoyloxypropyl)ammonium chloride
 xref: Beilstein:3731819;   CAS:590-63-6;   DrugBank:DB01019;   KEGG:D01000;   Patent:US1894162;   Patent:US2322375;   Wikipedia:Bethanechol


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Path 1
Term Annotations click to browse term
  CHEBI ontology 913
    role 872
      biological role 872
        biochemical role 744
          cofactor 130
            chloride 11
              chloride salt 11
                bethanechol chloride 0
                  (R)-bethanechol chloride 0
                  (S)-bethanechol chloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 913
    subatomic particle 898
      composite particle 898
        hadron 898
          baryon 898
            nucleon 898
              atomic nucleus 898
                atom 898
                  main group element atom 867
                    p-block element atom 864
                      carbon group element atom 840
                        carbon atom 839
                          organic molecular entity 839
                            organic group 401
                              organic divalent group 399
                                organodiyl group 399
                                  carbonyl group 398
                                    carbonyl compound 398
                                      carboxylic ester 247
                                        carbamate ester 11
                                          bethanechol 0
                                            bethanechol chloride 0
                                              (R)-bethanechol chloride 0
                                              (S)-bethanechol chloride 0
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