Bethanechol chlorideProduct ingredient for Bethanechol
- Name
- Bethanechol chloride
- Drug Entry
- Bethanechol
Bethanechol is a synthetic ester that was initially synthesized in 1935.1,4 As a cholinergic agent, bethanechol is similar in structure and pharmacological function to acetylcholine and is used in specific cases when stimulation of the parasympathetic nervous system is necessary.1,4 For example, bethanechol is readily used to treat postoperative or postpartum urinary retention. An advantage of bethanechol is that in contrast to acetylcholine, bethanechol is not degraded by cholinesterase allowing its effects to be longer-lasting.4
- Accession Number
- DBSALT000234
- Structure
Structure for Bethanechol chloride (DBSALT000234)
- Synonyms
- Bethanechol chloride
- UNII
- H4QBZ2LO84
- CAS Number
- 590-63-6
- Weight
- Average: 196.675
Monoisotopic: 196.097855505 - Chemical Formula
- C7H17ClN2O2
- InChI Key
- XXRMYXBSBOVVBH-UHFFFAOYSA-N
- InChI
- InChI=1S/C7H16N2O2.ClH/c1-6(11-7(8)10)5-9(2,3)4;/h6H,5H2,1-4H3,(H-,8,10);1H
- IUPAC Name
- [2-(carboximidatooxy)propyl]trimethylazanium hydrochloride
- SMILES
- Cl.CC(C[N+](C)(C)C)OC([O-])=N
- External Links
- KEGG Drug
- D01000
- KEGG Compound
- C08202
- PubChem Compound
- 11548
- ChemSpider
- 11061
- ChEBI
- 3085
- ChEMBL
- CHEMBL1768
- Wikipedia
- Bethanechol
- Predicted Properties
Property Value Source Water Solubility 0.0972 mg/mL ALOGPS logP -2.9 ALOGPS logP -6 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) -3 Chemaxon pKa (Strongest Basic) 11.79 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 56.14 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 76.2 m3·mol-1 Chemaxon Polarizability 17.28 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon