BETHANECHOL CHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII H4QBZ2LO84
EPA CompTox DTXSID2022676
Parent Compound: BETHANECHOL

Structure

InChI Key XXRMYXBSBOVVBH-UHFFFAOYSA-N
Smiles 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

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M2 agonist 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
- - - - 100.03-111.12
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 100.03-111.12

Target Conservation

Protein: Muscarinic acetylcholine receptor M2
Description: Muscarinic acetylcholine receptor M2
Organism : Homo sapiens
P08172 ENSG00000181072
Protein: Muscarinic acetylcholine receptor M3
Description: Muscarinic acetylcholine receptor M3
Organism : Homo sapiens
P20309 ENSG00000133019

Cross References

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