Oxyphenonium bromideProduct ingredient for Oxyphenonium
- Name
- Oxyphenonium bromide
- Drug Entry
- Oxyphenonium
A quaternary ammonium anticholinergic agent with peripheral side effects similar to those of atropine. It is used as an adjunct in the treatment of gastric and duodenal ulcer, and to relieve visceral spasms. The drug has also been used in the form of eye drops for mydriatic effect. [PubChem]
- Accession Number
- DBSALT000207
- Structure
Structure for Oxyphenonium bromide (DBSALT000207)
- Synonyms
- (+/-)-oxyphenonium bromide
- UNII
- S9421HWB3Z
- CAS Number
- 50-10-2
- Weight
- Average: 428.404
Monoisotopic: 427.172206606 - Chemical Formula
- C21H34BrNO3
- InChI Key
- UKLQXHUGTKWPSR-UHFFFAOYSA-M
- InChI
- InChI=1S/C21H34NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1
- IUPAC Name
- {2-[(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy]ethyl}diethylmethylazanium bromide
- SMILES
- [Br-].CC[N+](C)(CC)CCOC(=O)C(O)(C1CCCCC1)C1=CC=CC=C1
- External Links
- PubChem Compound
- 5748
- ChemSpider
- 5546
- ChEMBL
- CHEMBL1200906
- Wikipedia
- Oxyphenonium_bromide
- Predicted Properties
Property Value Source Water Solubility 0.000214 mg/mL ALOGPS logP 1 ALOGPS logP -0.2 Chemaxon logS -6.3 ALOGPS pKa (Strongest Acidic) 11.53 Chemaxon pKa (Strongest Basic) -4.3 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 46.53 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 112.61 m3·mol-1 Chemaxon Polarizability 40.8 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon