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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 909
    chemical entity 909
      molecular entity 907
        ion 130
          organic ion 56
            organic cation 38
              quaternary ammonium ion 16
                bethanechol 0
                  (R)-bethanechol 0
                  (S)-bethanechol 0
                  bethanechol chloride + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 909
    subatomic particle 894
      composite particle 894
        hadron 894
          baryon 894
            nucleon 894
              atomic nucleus 894
                atom 894
                  main group element atom 863
                    p-block element atom 860
                      carbon group element atom 836
                        carbon atom 835
                          organic molecular entity 835
                            organic group 393
                              organic divalent group 391
                                organodiyl group 391
                                  carbonyl group 390
                                    carbonyl compound 390
                                      carboxylic ester 233
                                        carbamate ester 11
                                          bethanechol 0
                                            (R)-bethanechol 0
                                            (S)-bethanechol 0
                                            bethanechol chloride + 0
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