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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | bethanechol chloride | |
| Synonyms |
2-((aminocarbonyl)oxy)-N,N,N-trimethyl-1-propanaminium chloride (2-hydroxypropyl)trimethylammonium chloride carbamate 2-carbamoyloxypropyltrimethylammonium chloride trimethyl(2-carbamoyloxypropyl)ammonium chloride 2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium chloride |
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| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3085 |
|
| charge |
0
|
|
| database_cross_reference |
Patent:US2322375 DrugBank:DB01019 Patent:US1894162 KEGG:D01000 Wikipedia:Bethanechol CAS:590-63-6 Beilstein:3731819
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|
| 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.
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|
| formula |
C7H17ClN2O2
|
|
| has part | ||
| has role | ||
| has_exact_synonym |
2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium chloride
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|
| has_obo_namespace |
chebi_ontology
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|
| has_related_synonym |
2-((aminocarbonyl)oxy)-N,N,N-trimethyl-1-propanaminium chloride (2-hydroxypropyl)trimethylammonium chloride carbamate 2-carbamoyloxypropyltrimethylammonium chloride trimethyl(2-carbamoyloxypropyl)ammonium chloride
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|
| id |
CHEBI:3085
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|
| in_subset | ||
| inchi |
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
|
|
| label |
bethanechol chloride
|
|
| mass |
196.67500
|
|
| monoisotopicmass |
196.09786
|
|
| notation |
CHEBI:3085
|
|
| prefLabel |
bethanechol chloride
|
|
| smiles |
[Cl-].CC(C[N+](C)(C)C)OC(N)=O
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_35273 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35273 |
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