(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

CAS: 136310-95-7

Ref. TR-H941715

Product Information

• Name: (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
• Synonyms: 8-Azoniabicyclo[3.2.1]oct-6-ene, 3-[(hydroxydi-2-thienylacetyl)oxy]-8,8-dimethyl-, bromide, (3-endo)- (9CI), 8-Azoniabicyclo[3.2.1]oct-6-ene, 3-[(hydroxydi-2-thienylacetyl)oxy]-8,8-dimethyl-, bromide, endo-, 8-Azoniabicyclo[3.2.1]oct-6-ene, 3-[(2-hydroxy-2,2-di-2-thienylacetyl)oxy]-8,8-dimethyl-, bromide (1:1), (3-endo)-, Tiotropium Bromide Monohydrate Imp C (EP)

Description

Impurity Tiotropium bromide EP impurity C
Applications (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 is 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: 456.42
• Formula: C₁₉H₂₂NO₃S₂·Br
• Color/Form: Neat
• InChI: /h3-10,13-15,22H,11-12H2,1-2H3, /p-1/t13-,14+,15+, 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, 1H/q+1
• SMILES: C[N+]1(C)C2C=CC1CC(OC(=O)C(O)(c1cccs1)c1cccs1)C2.[Br-]