(1R,3S,5S)-3-(2-Hydroxy-2,2-di(thiophen-2-yl)acetoxy)-8,8-dimethyl-d3-8-azabicyclo[3.2.1]oct-6-en-8-ium Bromide

CAS: 136310-95-7

Ref. TR-H941717

Product Information

• Name: (1R,3S,5S)-3-(2-Hydroxy-2,2-di(thiophen-2-yl)acetoxy)-8,8-dimethyl-d3-8-azabicyclo[3.2.1]oct-6-en-8-ium Bromide
• Synonyms: [(1S,5R)-8-methyl-8-(trideuteriomethyl)-8-azoniabicyclo[3.2.1]oct-6-en-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;bromide

Description

Applications (1R,3S,5S)-3-(2-Hydroxy-2,2-di(thiophen-2-yl)acetoxy)-8,8-dimethyl-d3-8-azabicyclo[3.2.1]oct-6-en-8-ium Bromide is the labeled analogue of (1R,3S,5S)-3-(2-Hydroxy-2,2-di(thiophen-2-yl)acetoxy)-8,8-dimethyl-8-azabicyclo[3.2.1]oct-6-en-8-ium Bromide (H941715), an impurity in the synthesis of Tiotropium Bromide (T444850), a muscarinic receptor antagonist. Bronchodilator.
References Haddad, E.-B., et al.: Mol. Pharmacol., 45, 899 (1994); Donohue, J. F., et al.: Chest, 122, 47 (2002); Profita, M., et al.: Allergy, 60, 1361 (2005); Dusser, D., et al.: Eur. Respir. J., 27, 547 (2006);

• Brand: TRC

Chemical properties

• Molecular weight: 459.435
• Formula: C₁₉D₃H₁₉NO₃S₂·Br
• Color/Form: Neat
• InChI: InChI=1S/C19H22NO3S2.BrH/c1-20(2)13-7-8-14(20)12-15(11-13)23-18(21)19(22,16-5-3-9-24-16)17-6-4-10-25-17;/h3-10,13-15,22H,11-12H2,1-2H3;1H/q+1;/p-1/t13-,14+,15+;/i1D3;/t13-,14+,15+,20-
• SMILES: [2H]C([2H])([2H])[N@@+]1(C)[C@@H]2C=C[C@H]1C[C@@H](OC(=O)C(O)(c1cccs1)c1cccs1)C2.[Br-]