Carbamoylcholine chlorideProduct ingredient for Carbamoylcholine
- Name
- Carbamoylcholine chloride
- Drug Entry
- Carbamoylcholine
Carbamoylcholine, also known as carbachol, is a muscarinic agonist discovered in 1932.2 Carbamoylcholine was initially used as a treatment for migraines,6 induction of diuresis,7 and other parasympathetic effects.
Carbamoylcholine was granted FDA approval on 28 September 1972.9
- Accession Number
- DBSALT002764
- Structure
Structure for Carbamoylcholine chloride (DBSALT002764)
- Synonyms
- Carbachol / Carbacholine chloride
- UNII
- 8Y164V895Y
- CAS Number
- 51-83-2
- Weight
- Average: 182.649
Monoisotopic: 182.082205441 - Chemical Formula
- C6H15ClN2O2
- InChI Key
- AIXAANGOTKPUOY-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H14N2O2.ClH/c1-8(2,3)4-5-10-6(7)9;/h4-5H2,1-3H3,(H-,7,9);1H
- IUPAC Name
- 2-(trimethylazaniumyl)ethyl carbamate chloride
- SMILES
- [Cl-].C[N+](C)(C)CCOC(N)=O
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.948 mg/mL ALOGPS logP -3.6 ALOGPS logP -4.6 Chemaxon logS -2.3 ALOGPS pKa (Strongest Acidic) 15.23 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 52.32 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 50.02 m3·mol-1 Chemaxon Polarizability 16.02 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