CHEBI:6804 - methacholine

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ChEBI Name methacholine
ChEBI ID CHEBI:6804
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H18NO2
Net Charge +1
Average Mass 160.23406
Monoisotopic Mass 160.134
InChI InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
InChIKey NZWOPGCLSHLLPA-UHFFFAOYSA-N
SMILES CC(C[N+](C)(C)C)OC(C)=O
Roles Classification
Biological Role(s): muscarinic agonist
Any drug that binds to and activates a muscarinic cholinergic receptor.
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.
Application(s): muscarinic agonist
Any drug that binds to and activates a muscarinic cholinergic receptor.
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.
vasodilator agent
A drug used to cause dilation of the blood vessels.
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ChEBI Ontology
Outgoing 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 methacholine chloride (CHEBI:50142) has part methacholine (CHEBI:6804)
IUPAC Name
2-acetyloxy-N,N,N-trimethylpropan-1-aminium
Synonyms Sources
Acetyl-beta-methylcholine KEGG COMPOUND
Acetylmethylcholine ChemIDplus
MCh ChEBI
Methacholine KEGG COMPOUND
Database Links Databases
1726 DrugCentral
C07471 KEGG COMPOUND
DB06709 DrugBank
LSM-6405 LINCS
Methacholine Wikipedia
View more database links
Registry Numbers Types Sources
1769932 Beilstein Registry Number Beilstein
55-92-5 CAS Registry Number KEGG COMPOUND
55-92-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12128066 PubMed citation Europe PMC
15275856 PubMed citation Europe PMC
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16477439 PubMed citation Europe PMC
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19589828 PubMed citation Europe PMC
22826043 PubMed citation Europe PMC
22981792 PubMed citation Europe PMC
23429803 PubMed citation Europe PMC
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Last Modified
22 February 2017