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methacholine
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.


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05. Industrial Uses: pharmaceutical [CHEBI:52217] > drug [CHEBI:23888] > bronchoconstrictor agent [CHEBI:50141]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 pharmacological uses [CHEBI:52210] (736) 
 neurotransmitter agent [CHEBI:35942] (471) 
 cholinergic drug [CHEBI:38323] (108) 
 cholinergic agonist [CHEBI:38324] (16) 
 methacholine [CHEBI:6804] (1)
 muscarinic agonist [CHEBI:38325] (8) 
 methacholine [CHEBI:6804] (1)
 epitope [CHEBI:53000] (470) 
 methacholine [CHEBI:6804] (1)
05. Industrial Uses 
05. Industrial Uses
 pharmaceutical [CHEBI:52217] (1978) 
 drug [CHEBI:23888] (1930) 
 bronchoconstrictor agent [CHEBI:50141] (2) 
 methacholine [CHEBI:6804] (1)
 cardiovascular drug [CHEBI:35554] (162) 
 vasodilator agent [CHEBI:35620] (65) 
 methacholine [CHEBI:6804] (1)
08. Chemical Category 
08. Chemical Category
 ion [CHEBI:24870] (4391) 
 polyatomic ion [CHEBI:36358] (2633) 
 polyatomic cation [CHEBI:33702] (611) 
 ammonium ion [CHEBI:35274] (507) 
 quaternary ammonium ion [CHEBI:35267] (174) 
 methacholine [CHEBI:6804] (1)
 cation [CHEBI:36916] (947) 
 polyatomic cation [CHEBI:33702] (611) 
 ammonium ion [CHEBI:35274] (507) 
 quaternary ammonium ion [CHEBI:35267] (174) 
 methacholine [CHEBI:6804] (1)
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 ammonium ion [CHEBI:35274] (507) 
 quaternary ammonium ion [CHEBI:35267] (174) 
 methacholine [CHEBI:6804] (1)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 methacholine [CHEBI:6804] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 methacholine [CHEBI:6804] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 methacholine [CHEBI:6804] (1)
 ester [CHEBI:35701] (3370) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 methacholine [CHEBI:6804] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 methacholine [CHEBI:6804] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 organic molecule [CHEBI:72695] (11399) 
 organic oxo compound [CHEBI:36587] (5932) 
 carbonyl compound [CHEBI:36586] (5928) 
 carboxylic ester [CHEBI:33308] (1495) 
 acetate ester [CHEBI:47622] (184) 
 methacholine [CHEBI:6804] (1)
 polyatomic ion [CHEBI:36358] (2633) 
 polyatomic cation [CHEBI:33702] (611) 
 ammonium ion [CHEBI:35274] (507) 
 quaternary ammonium ion [CHEBI:35267] (174) 
 methacholine [CHEBI:6804] (1)
ChEBI Compound Accession Identifier  [CHEBI:6804]
ChEBI Compound Description  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.
ChEBI Compound Identification Number  6804
ChEBI InChI Value  InChI=1S/C8H18NO2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3/q+1
ChEBI InChIKey Value  NZWOPGCLSHLLPA-UHFFFAOYSA-N
ChEBI Compound Name  methacholine
ChEBI SMILES Value  CC(C[N+](C)(C)C)OC(C)=O
ChEBI Substance ID  8145952
ChEBI URL  ChEBI:6804
ChemSpider ID  1916
Ontomatica Chemical Accession Key (OnChAKey)  NZWOPGCLSHLLPA_UHFFFAOYSA_N_000_000000
PubChem Compound ID  1993