CHEBI:6804 - methacholine

ChEBI IDCHEBI:6804
ChEBI Namemethacholine
Stars
DefinitionA quaternary ammonium ion in which the nitrogen is substituted with three methyl groups and a 2-acetoxypropyl group. Parasympathomimetic bronchoconstrictor drug used in clinical diagnosis.
Last Modified22 February 2017
DownloadsMolfile
FormulaC8H18NO2
Net Charge+1
Average Mass160.237
Monoisotopic Mass160.13321
SMILESCC(=O)OC(C)C[N+](C)(C)C
InChIInChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
InChIKeyNZWOPGCLSHLLPA-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
cholinergic agonist  Any drug that binds to and activates cholinergic receptors.
muscarinic agonist  Any drug that binds to and activates a muscarinic cholinergic receptor.
Applications:
vasodilator agent  A drug used to cause dilation of the blood vessels.
bronchoconstrictor agent  A drug which causes a narrowing of the lumen of a bronchus or bronchiole.
cholinergic agonist  Any drug that binds to and activates cholinergic receptors.
muscarinic agonist  Any drug that binds to and activates a muscarinic cholinergic receptor.
ChEBI Ontology
Outgoing Relation(s)
methacholine (CHEBI:6804) has role bronchoconstrictor agent (CHEBI:50141)
methacholine (CHEBI:6804) has role cholinergic agonist (CHEBI:38324)
methacholine (CHEBI:6804) has role epitope (CHEBI:53000)
methacholine (CHEBI:6804) has role muscarinic agonist (CHEBI:38325)
methacholine (CHEBI:6804) has role vasodilator agent (CHEBI:35620)
methacholine (CHEBI:6804) is a acetate ester (CHEBI:47622)
methacholine (CHEBI:6804) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
methacholine chloride (CHEBI:50142) has part methacholine (CHEBI:6804)
IUPAC Name 
2-acetyloxy-N,N,N-trimethylpropan-1-aminium
Synonyms  Source
Acetyl-beta-methylcholineKEGG COMPOUND
AcetylmethylcholineChemIDplus
MChChEBI
MethacholineKEGG COMPOUND
Manual XrefsDatabases
1726DrugCentral
C07471KEGG COMPOUND
DB06709DrugBank
LSM-6405LINCS
MethacholineWikipedia
Registry NumbersSources
Beilstein:1769932Beilstein
CAS:55-92-5ChemIDplus
CAS:55-92-5KEGG COMPOUND
Citations