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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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 21771
    role 21750
      biological role 21748
        biochemical role 20993
          cofactor 15934
            chloride 8230
              chloride salt 8230
                bethanechol chloride 0
                  (R)-bethanechol chloride 0
                  (S)-bethanechol chloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21771
    subatomic particle 21757
      composite particle 21757
        hadron 21757
          baryon 21757
            nucleon 21757
              atomic nucleus 21757
                atom 21757
                  main group element atom 21674
                    p-block element atom 21674
                      carbon group element atom 21487
                        carbon atom 21387
                          organic molecular entity 21387
                            organic group 19948
                              organic divalent group 19935
                                organodiyl group 19935
                                  carbonyl group 19920
                                    carbonyl compound 19920
                                      carboxylic ester 16219
                                        carbamate ester 7498
                                          bethanechol 9
                                            bethanechol chloride 0
                                              (R)-bethanechol chloride 0
                                              (S)-bethanechol chloride 0
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