7-[(Hydroxy-2-thienyl-3-thienylacetyl)oxy]-9,9-dimethyl-3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane Bromide-d6

CAS: 136431-94-2

Ref. TR-H962027

Product Information

• Name: 7-[(Hydroxy-2-thienyl-3-thienylacetyl)oxy]-9,9-dimethyl-3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane Bromide-d6
• Synonyms: [(1S,4R,5R)-9,9-bis(trideuteriomethyl)-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylacetate
• Brand: TRC
• Description: Applications Isotope labelled 7-[(Hydroxy-2-thienyl-3-thienylacetyl)oxy]-9,9-dimethyl-3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane Bromide is an impurity in the synthesis of Tiotropium Bromide (T444850), a muscarinic receptor antagonist. Bronchodilator.References Rodgers, T. et al.: J. Med. Chem., 20, 591 (1977); 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)

Chemical properties

• Molecular weight: 398.549
• Formula: C₁₉D₆H₁₆NO₄S₂
• Color/Form: Off-White
• InChI: InChI=1S/C19H22NO4S2/c1-20(2)13-8-12(9-14(20)17-16(13)24-17)23-18(21)19(22,11-5-7-25-10-11)15-4-3-6-26-15/h3-7,10,12-14,16-17,22H,8-9H2,1-2H3/q+1/t12-,13-,14+,16-,17?,19?/m1/s1/i1D3,2D3
• SMILES: [2H]C([2H])([2H])[N+]1(C([2H])([2H])[2H])[C@H]2C[C@H](OC(=O)C(O)(c3ccsc3)c3cccs3)C[C@@H]1[C@H]1OC21