EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:3084 - bethanechol
| Formula | C7H17N2O2 |
| Net Charge | +1 |
| Average Mass | 161.225 |
| Monoisotopic Mass | 161.12845 |
| SMILES | CC(C[N+](C)(C)C)OC(N)=O |
| InChI | 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 |
| 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 (CHEBI:3084) has role muscarinic agonist (CHEBI:38325) |
| bethanechol (CHEBI:3084) is a carbamate ester (CHEBI:23003) |
| bethanechol (CHEBI:3084) is a quaternary ammonium ion (CHEBI:35267) |
| Incoming Relation(s) |
| bethanechol chloride (CHEBI:3085) has part bethanechol (CHEBI:3084) |
| (R)-bethanechol (CHEBI:59260) is a bethanechol (CHEBI:3084) |
| (S)-bethanechol (CHEBI:59261) is a bethanechol (CHEBI:3084) |
| IUPAC Name |
|---|
| 2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium |
| Synonyms | Source |
|---|---|
| Bethanechol | KEGG COMPOUND |
| 2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium | ChEMBL |
| (2-hydroxypropyl)trimethylammonium carbamate | ChemIDplus |
| amidopropyldimethylbetaine | ChemIDplus |
| carbamoyl-β-methylcholine | ChemIDplus |
| carbamyl-β-methylcholine | ChemIDplus |
| Citations |
|---|