Oxitropium bromideProduct ingredient for Oxitropium
- Name
- Oxitropium bromide
- Drug Entry
- Oxitropium
Oxitropium has been investigated for the treatment of Pulmonary Disease, Chronic Obstructive.
- Accession Number
- DBSALT002531
- Structure
Structure for Oxitropium bromide (DBSALT002531)
- Synonyms
- Not Available
- UNII
- SF4NW7NH7C
- CAS Number
- 30286-75-0
- Weight
- Average: 412.324
Monoisotopic: 411.104521 - Chemical Formula
- C19H26BrNO4
- InChI Key
- LCELQERNWLBPSY-KHSTUMNDSA-M
- InChI
- InChI=1S/C19H26NO4.BrH/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12;/h4-8,13-18,21H,3,9-11H2,1-2H3;1H/q+1;/p-1/t13-,14-,15-,16+,17-,18+,20?;/m1./s1
- IUPAC Name
- (1R,2R,4S,5S,7S)-9-ethyl-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium bromide
- SMILES
- [Br-].CC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
- External Links
- ChemSpider
- 16735948
- Wikipedia
- Oxitropium_bromide
- Predicted Properties
Property Value Source Water Solubility 0.0068 mg/mL ALOGPS logP -1.2 ALOGPS logP -2.9 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 15.15 Chemaxon pKa (Strongest Basic) -2.7 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 59.06 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 100.38 m3·mol-1 Chemaxon Polarizability 35.26 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon