Benzoxonium chlorideProduct ingredient for Benzoxonium
- Name
- Benzoxonium chloride
- Drug Entry
- Benzoxonium
- Accession Number
- DBSALT002521
- Structure
Structure for Benzoxonium chloride (DBSALT002521)
- Synonyms
- Benzoxonium chloride
- External IDs
- D 301 / D301 / ZY 15021
- UNII
- 12IMO9R11X
- CAS Number
- 19379-90-9
- Weight
- Average: 400.04
Monoisotopic: 399.2904073 - Chemical Formula
- C23H42ClNO2
- InChI Key
- UUSQFLGKGQEVCM-UHFFFAOYSA-M
- InChI
- InChI=1S/C23H42NO2.ClH/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23;/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3;1H/q+1;/p-1
- IUPAC Name
- benzyl(dodecyl)bis(2-hydroxyethyl)azanium chloride
- SMILES
- [Cl-].CCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1
- External Links
- ChemSpider
- 27483
- ChEMBL
- CHEMBL2104255
- Wikipedia
- Benzoxonium_chloride
- Predicted Properties
Property Value Source Water Solubility 0.000115 mg/mL ALOGPS logP 4.55 ALOGPS logP 1.25 Chemaxon logS -6.5 ALOGPS pKa (Strongest Acidic) 13.67 Chemaxon pKa (Strongest Basic) -3.3 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 40.46 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 123.78 m3·mol-1 Chemaxon Polarizability 47.26 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon