CHEBI:50142 - methacholine chloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methacholine chloride
ChEBI ID CHEBI:50142
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C8H18ClNO2
C8H18NO2.Cl
Net Charge 0
Average Mass 195.68676
Monoisotopic Mass 195.10261
InChI InChI=1S/C8H18NO2.ClH/c1-7(11-8(2)10)6-9(3,4)5;/h7H,6H2,1-5H3;1H/q+1;/p-1
InChIKey JHPHVAVFUYTVCL-UHFFFAOYSA-M
SMILES [Cl-].CC(C[N+](C)(C)C)OC(C)=O
ChEBI Ontology
Outgoing methacholine chloride (CHEBI:50142) has part methacholine (CHEBI:6804)
methacholine chloride (CHEBI:50142) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name
2-acetyloxy-N,N,N-trimethylpropan-1-aminium chloride
INN Source
methacholine chloride KEGG DRUG
Brand Name Source
Provocholine KEGG DRUG
Manual Xref Database
D04970 KEGG DRUG
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Last Modified
17 June 2008