Products 727649-81-2
CAS 727649-81-2 is the registry number for Aclidinium. Offered by: MedChemExpress. Available pack sizes: Get quote.
Aclidinium is a carboxylic ester obtained by formal condensation between the carboxy group of 2-hydroxy(di-2-thienyl)acetic acid and the hydroxy group of N-(3-phenoxypropyl)-3-quinuclidinol. Used as its bromide salt for the long-term maintenance treatment of bronchospasm associated with chronic obstructive pulmonary disease (COPD). It has a role as a bronchodilator agent and a muscarinic antagonist. It is a member of thiophenes, a carboxylic ester, a quaternary ammonium ion and an aromatic ether. It is functionally related to a 3-quinuclidinol.
Source: ChEBI
| Molecular formula | C26H30NO4S2+ |
|---|---|
| Molecular weight | 484.7 g/mol |
| IUPAC name | [(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate |
| InChIKey | ASMXXROZKSBQIH-VITNCHFBSA-N |
| SMILES | C1C[N+]2(CCC1[C@H](C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5 |
Computed by PubChem (NCBI)