Otilonium bromideProduct ingredient for Otilonium
- Name
- Otilonium bromide
- Drug Entry
- Otilonium
- Accession Number
- DBSALT002518
- Structure
Structure for Otilonium bromide (DBSALT002518)
- Synonyms
- Bromuro de otilonio / Otilonii bromidum / Otilonium bromide
- UNII
- 21HN3N72PV
- CAS Number
- 26095-59-0
- Weight
- Average: 563.577
Monoisotopic: 562.240621 - Chemical Formula
- C29H43BrN2O4
- InChI Key
- VWZPIJGXYWHBOW-UHFFFAOYSA-N
- InChI
- InChI=1S/C29H42N2O4.BrH/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3;/h12-13,15-20H,5-11,14,21-23H2,1-4H3;1H
- IUPAC Name
- diethyl(methyl)(2-{4-[2-(octyloxy)benzamido]benzoyloxy}ethyl)azanium bromide
- SMILES
- [Br-].CCCCCCCCOC1=CC=CC=C1C(=O)NC1=CC=C(C=C1)C(=O)OCC[N+](C)(CC)CC
- External Links
- ChemSpider
- 65077
- ChEMBL
- CHEMBL2103773
- Wikipedia
- Otilonium_bromide
- Predicted Properties
Property Value Source Water Solubility 2.31e-05 mg/mL ALOGPS logP 2.5 ALOGPS logP 2.58 Chemaxon logS -7.4 ALOGPS pKa (Strongest Acidic) 14.88 Chemaxon pKa (Strongest Basic) -3.9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 64.63 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 155.79 m3·mol-1 Chemaxon Polarizability 58.51 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon