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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 19775
    role 19722
      biological role 19722
        biochemical role 19323
          cofactor 15551
            chloride 8440
              chloride salt 8440
                bethanechol chloride 0
                  (R)-bethanechol chloride 0
                  (S)-bethanechol chloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19775
    subatomic particle 19774
      composite particle 19774
        hadron 19774
          baryon 19774
            nucleon 19774
              atomic nucleus 19774
                atom 19774
                  main group element atom 19665
                    p-block element atom 19665
                      carbon group element atom 19584
                        carbon atom 19574
                          organic molecular entity 19574
                            organic group 18622
                              organic divalent group 18613
                                organodiyl group 18613
                                  carbonyl group 18530
                                    carbonyl compound 18530
                                      carboxylic ester 15549
                                        carbamate ester 7443
                                          bethanechol 9
                                            bethanechol chloride 0
                                              (R)-bethanechol chloride 0
                                              (S)-bethanechol chloride 0
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