Bibenzonium bromideProduct ingredient for Bibenzonium
- Name
- Bibenzonium bromide
- Drug Entry
- Bibenzonium
- Accession Number
- DBSALT002525
- Structure
Structure for Bibenzonium bromide (DBSALT002525)
- Synonyms
- Bibenzonii bromidum / Bibenzonium bromide / Bromuro de bibenzonio
- UNII
- 4455J9277Q
- CAS Number
- 15585-70-3
- Weight
- Average: 364.327
Monoisotopic: 363.119777 - Chemical Formula
- C19H26BrNO
- InChI Key
- APVMLVNTOWQOHL-UHFFFAOYSA-M
- InChI
- InChI=1S/C19H26NO.BrH/c1-20(2,3)14-15-21-19(18-12-8-5-9-13-18)16-17-10-6-4-7-11-17;/h4-13,19H,14-16H2,1-3H3;1H/q+1;/p-1
- IUPAC Name
- [2-(1,2-diphenylethoxy)ethyl]trimethylazanium bromide
- SMILES
- [Br-].C[N+](C)(C)CCOC(CC1=CC=CC=C1)C1=CC=CC=C1
- External Links
- ChemSpider
- 76675
- ChEMBL
- CHEMBL2106083
- Wikipedia
- Bibenzonium_bromide
- Predicted Properties
Property Value Source Water Solubility 3.47e-05 mg/mL ALOGPS logP -0.62 ALOGPS logP -0.22 Chemaxon logS -7 ALOGPS pKa (Strongest Basic) -4.2 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 9.23 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 100.6 m3·mol-1 Chemaxon Polarizability 33.85 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon