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CHEBI:59261 - (S)-bethanechol

ChEBI IDCHEBI:59261
ChEBI Name(S)-bethanechol
Stars
ASCII Name(S)-bethanechol
DefinitionThe (S)-enantiomer of bethanechol.
Last Modified22 April 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC7H17N2O2
Net Charge+1
Average Mass161.225
Monoisotopic Mass161.12845
SMILESC[C@@H](C[N+](C)(C)C)OC(N)=O
InChIInChI=1S/C7H16N2O2/c1-6(11-7(8)10)5-9(2,3)4/h6H,5H2,1-4H3,(H-,8,10)/p+1/t6-/m0/s1
InChIKeyNZUPCNDJBJXXRF-LURJTMIESA-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)
(S)-bethanechol (CHEBI:59261) is a bethanechol (CHEBI:3084)
(S)-bethanechol (CHEBI:59261) is enantiomer of (R)-bethanechol (CHEBI:59260)
Incoming Relation(s)
(R)-bethanechol (CHEBI:59260) is enantiomer of (S)-bethanechol (CHEBI:59261)
IUPAC Name 
(2S)-2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium
Synonym  Source
(S)-carbamoyl-β-methylcholineChEBI
Manual XrefsDatabases
DB01019DrugBank
Registry NumbersSources
Beilstein:6890834Beilstein