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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 397
    role 397
      biological role 397
        biochemical role 356
          cofactor 26
            chloride 13
              chloride salt 13
                bethanechol chloride 0
                  (R)-bethanechol chloride 0
                  (S)-bethanechol chloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 397
    subatomic particle 397
      composite particle 397
        hadron 397
          baryon 397
            nucleon 397
              atomic nucleus 397
                atom 397
                  main group element atom 390
                    p-block element atom 390
                      carbon group element atom 379
                        carbon atom 378
                          organic molecular entity 378
                            organic group 313
                              organic divalent group 312
                                organodiyl group 312
                                  carbonyl group 312
                                    carbonyl compound 312
                                      carboxylic ester 101
                                        carbamate ester 2
                                          bethanechol 0
                                            bethanechol chloride 0
                                              (R)-bethanechol chloride 0
                                              (S)-bethanechol chloride 0
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