METHACHOLINE CHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1986)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 0W5ETF9M2K
Parent Compound: METHACHOLINE

Structure
InChI Key JHPHVAVFUYTVCL-UHFFFAOYSA-M
Smile CC(=O)OC(C)C[N+](C)(C)C.[Cl-]
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18ClNO2
Molecular Weight 195.69
AlogP 0.64
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 11.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Muscarinic acetylcholine receptor M3 agonist ISBN PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 107

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 4 D001249 ClinicalTrials

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
20.0
Gastrointestinal disorders
15.0
Nervous system disorders
15.0
Cardiac disorders
10.0
Respiratory, thoracic and mediastinal disorders
10.0
Vascular disorders
10.0
Metabolism and nutrition disorders
5.0
Psychiatric disorders
5.0
Reproductive system and breast disorders
5.0
Skin and subcutaneous tissue disorders
5.0

Cross References

Resources Reference
ChEBI 50142
ChEMBL CHEMBL1200764
EPA CompTox DTXSID7023271
FDA SRS 0W5ETF9M2K
KEGG C07471
PubChem 6114
SureChEMBL SCHEMBL69104
ZINC ZINC03831051
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