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CHEBI:3085 - bethanechol chloride
| Formula | C7H17N2O2.Cl |
| Net Charge | 0 |
| Average Mass | 196.678 |
| Monoisotopic Mass | 196.09786 |
| SMILES | CC(C[N+](C)(C)C)OC(N)=O.[Cl-] |
| 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 |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Role: | muscarinic agonist Any drug that binds to and activates a muscarinic cholinergic receptor. |
| Application: | muscarinic agonist Any drug that binds to and activates a muscarinic cholinergic receptor. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bethanechol chloride (CHEBI:3085) has part bethanechol (CHEBI:3084) |
| bethanechol chloride (CHEBI:3085) has role muscarinic agonist (CHEBI:38325) |
| bethanechol chloride (CHEBI:3085) is a carbamate ester (CHEBI:23003) |
| bethanechol chloride (CHEBI:3085) is a chloride salt (CHEBI:23114) |
| bethanechol chloride (CHEBI:3085) is a quaternary ammonium salt (CHEBI:35273) |
| Incoming Relation(s) |
| (R)-bethanechol chloride (CHEBI:59262) is a bethanechol chloride (CHEBI:3085) |
| (S)-bethanechol chloride (CHEBI:59263) is a bethanechol chloride (CHEBI:3085) |
| IUPAC Name |
|---|
| 2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium chloride |
| Synonyms | Source |
|---|---|
| (2-hydroxypropyl)trimethylammonium chloride carbamate | ChemIDplus |
| 2-((aminocarbonyl)oxy)-N,N,N-trimethyl-1-propanaminium chloride | ChemIDplus |
| trimethyl(2-carbamoyloxypropyl)ammonium chloride | ChemIDplus |
| 2-carbamoyloxypropyltrimethylammonium chloride | ChemIDplus |