BETHANECHOL CHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1948)
Entry Type: Small molecule
Molecule Category: Salt
UNII: H4QBZ2LO84
Parent Compound: BETHANECHOL

Structure
InChI Key XXRMYXBSBOVVBH-UHFFFAOYSA-N
Smile CC(C[N+](C)(C)C)OC(N)=O.[Cl-]
InChI
InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H17ClN2O2
Molecular Weight 196.68
AlogP 0.18
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 52.32
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 11.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Muscarinic acetylcholine receptor M2 agonist ISBN PubMed PubMed Wikipedia
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
- - - - 100

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
21.05
General disorders and administration site conditions
18.42
Musculoskeletal and connective tissue disorders
10.53
Renal and urinary disorders
10.53
Gastrointestinal disorders
5.26
Immune system disorders
5.26
Infections and infestations
5.26
Skin and subcutaneous tissue disorders
5.26
Vascular disorders
5.26
Product issues
5.26
Cardiac disorders
2.63
Investigations
2.63
Metabolism and nutrition disorders
2.63

Cross References

Resources Reference
ChEBI 3085
ChEMBL CHEMBL1768
EPA CompTox DTXSID2022676
FDA SRS H4QBZ2LO84
KEGG C08202
PubChem 11548
SureChEMBL SCHEMBL37393
ZINC ZINC03830314
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