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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
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Accession:CHEBI:3084 term browser browse the term
Definition:The carbamic acid ester of 2-methylcholine. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used as its chloride salt 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:related_synonym: (2-hydroxypropyl)trimethylammonium carbamate;   2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium;   2-carbamoyloxypropyl-trimethylazanium;   Formula=C7H17N2O2;   InChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1;   InChIKey=NZUPCNDJBJXXRF-UHFFFAOYSA-O;   SMILES=CC(C[N+](C)(C)C)OC(N)=O;   amidopropyldimethylbetaine;   carbamoyl-beta-methylcholine;   carbamyl-beta-methylcholine
 alt_id: CHEBI:506520
 xref: Beilstein:1773706;   CAS:674-38-4;   DrugBank:DB01019;   Drug_Central:358;   KEGG:C06850;   LINCS:LSM-5196
 xref_mesh: MESH:D018723
 xref: PMID:17889543


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        ion 0
          organic ion 0
            organic cation 0
              quaternary ammonium ion 0
                bethanechol 0
                  (R)-bethanechol 0
                  (S)-bethanechol 0
                  bethanechol chloride + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      carboxylic ester 0
                                        carbamate ester 0
                                          bethanechol 0
                                            (R)-bethanechol 0
                                            (S)-bethanechol 0
                                            bethanechol chloride + 0
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