Aclidinium

cas: 727649-81-2 — see every product listed under this CAS number, including other names

Aclidinium (CAS 727649-81-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-159686-Get quote
cas727649-81-2
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Structural formula: {0} (CAS {1})

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

Identity
Molecular formulaC26H30NO4S2+
Molecular weight484.7 g/mol
IUPAC name[(3R)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate
InChIKeyASMXXROZKSBQIH-VITNCHFBSA-N
SMILESC1C[N+]2(CCC1[C@H](C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5

Computed by PubChem (NCBI)

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