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.
muscarinic agonist  Any drug that binds to and activates a muscarinic cholinergic receptor.
cholinergic agonist  Any drug that binds to and activates cholinergic receptors.
Applications:
bronchoconstrictor agent  A drug which causes a narrowing of the lumen of a bronchus or bronchiole.
muscarinic agonist  Any drug that binds to and activates a muscarinic cholinergic receptor.
vasodilator agent  A drug used to cause dilation of the blood vessels.
cholinergic agonist  Any drug that binds to and activates cholinergic receptors.
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
MethacholineKEGG COMPOUND
Acetyl-beta-methylcholineKEGG COMPOUND
AcetylmethylcholineChemIDplus
MChChEBI
Manual XrefsDatabases
C07471KEGG COMPOUND
MethacholineWikipedia
DB06709DrugBank
LSM-6405LINCS
1726DrugCentral
Registry NumbersSources
Beilstein:1769932Beilstein
CAS:55-92-5KEGG COMPOUND
CAS:55-92-5ChemIDplus
Citations