Aclidinium bromideProduct ingredient for Aclidinium
- Name
- Aclidinium bromide
- Drug Entry
- Aclidinium
Aclidinium is an anticholinergic for the long-term management of chronic obstructive pulmonary disease (COPD). It has a much higher propensity to bind to muscarinic receptors than nicotinic receptors. FDA approved on July 24, 2012.
- Accession Number
- DBSALT000003
- Structure
Structure for Aclidinium bromide (DBSALT000003)
- Synonyms
- aclidinium bromide, micronised
- External IDs
- LAS 34273 / LAS W-330 / LAS34273
- UNII
- UQW7UF9N91
- CAS Number
- 320345-99-1
- Weight
- Average: 564.555
Monoisotopic: 563.07996248 - Chemical Formula
- C26H30BrNO4S2
- InChI Key
- XLAKJQPTOJHYDR-QTQXQZBYSA-M
- InChI
- InChI=1S/C26H30NO4S2.BrH/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21;/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2;1H/q+1;/p-1/t20?,22-,27?;/m0./s1
- IUPAC Name
- (3R)-3-{[2-hydroxy-2,2-bis(thiophen-2-yl)acetyl]oxy}-1-(3-phenoxypropyl)-1-azabicyclo[2.2.2]octan-1-ium bromide
- SMILES
- [Br-].OC(C(=O)O[C@H]1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C1=CC=CS1)C1=CC=CS1
- External Links
- KEGG Drug
- D08837
- PubChem Compound
- 11519741
- ChemSpider
- 9694529
- ChEBI
- 65344
- ChEMBL
- CHEMBL551466
- Wikipedia
- Aclidinium_bromide
- Predicted Properties
Property Value Source Water Solubility 0.0019 mg/mL ALOGPS logP 2.24 ALOGPS logP 0.45 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) 10.35 Chemaxon pKa (Strongest Basic) -4.8 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 55.76 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 141.33 m3·mol-1 Chemaxon Polarizability 52.09 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon