CHEBI:3084 - bethanechol

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name bethanechol ChEBI ID CHEBI:3084 Definition The carbamic acid ester of 2-methylcholine. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used as its chloride salt 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. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:506520 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H17N2O2 Net Charge +1 Average Mass 161.22150 Monoisotopic Mass 161.12845 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 SMILES CC(C[N+](C)(C)C)OC(N)=O Roles Classification Biological Role(s): muscarinic agonist Any drug that binds to and activates a muscarinic cholinergic receptor. Application(s): muscarinic agonist Any drug that binds to and activates a muscarinic cholinergic receptor. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Sources (2-hydroxypropyl)trimethylammonium carbamate ChemIDplus 2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium ChEMBL 2-carbamoyloxypropyl-trimethylazanium DrugBank amidopropyldimethylbetaine ChemIDplus Bethanechol KEGG COMPOUND carbamoyl-β-methylcholine ChemIDplus carbamyl-β-methylcholine ChemIDplus Manual Xrefs Databases 358 DrugCentral C06850 KEGG COMPOUND DB01019 DrugBank LSM-5196 LINCS View more database links Registry Numbers Types Sources 1773706 Beilstein Registry Number Beilstein 674-38-4 CAS Registry Number ChemIDplus Citation Type Source 17889543 PubMed citation ChEMBL Last Modified 22 February 2017