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Aclidinium Bromide-[d5]

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General Information
Catalog: BLP-003529
Molecular Formula: C22H21D5BrNO3
Molecular Weight: 437.38

Chemical Structure

Description	Aclidinium Bromide-[d5] is a labelled analogue of Aclidinium Bromide. Aclidinium Bromide is a long-acting muscarinic antagonist (LAMA) used for the treatment of chronic obstructive pulmonary disease (COPD).
Synonyms	(1s,4s)-3-{[2-hydroxy-2,2-bis(thiophen-2-yl)acetyl]oxy}-1-[3-(2H5)phenoxypropyl]-1-azabicyclo[2.2.2]octan-1-ium bromide; (3R)-3-[(2-Hydroxy-2,2-di-2-thienylacetyl)oxy]-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane-d5 Bromide; (3R)-(2-Hydroxy-2,2-dithien-2-ylacetoxy)-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane-d5 Bromide; Aclidinium-d5 Bromide; Genuair-d5; LAS 34273-d5; LAS-W 330-d5
IUPAC Name	[(3R)-1-[3-(2,3,4,5,6-pentadeuteriophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;bromide
Related CAS	320345-99-1 (unlabelled)
Canonical SMILES	C1C[N+]2(CCC1C(C2)OC(=O)C(C3=CC=CS3)(C4=CC=CS4)O)CCCOC5=CC=CC=C5.[Br-]
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/i1D,2D,3D,7D,8D;
InChI Key	XLAKJQPTOJHYDR-BZCGNCDSSA-M
Purity	95% by HPLC; 98% atom D