rel-(1R,3S,5S)-8-Methyl-8-azabicyclo[3,2,1]oct-6-en-yl-2-hydroxy-2,2-dithiophen-2-yl acetate

CAS: 136310-66-2

Ref. TR-M288620

Product Information

• Name: rel-(1R,3S,5S)-8-Methyl-8-azabicyclo[3,2,1]oct-6-en-yl-2-hydroxy-2,2-dithiophen-2-yl acetate
• Synonyms: 2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, 8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl ester, endo-, Di(2-thienyl)glycolic acid tropenol ester, 2-Thiopheneacetic acid, α-hydroxy-α-2-thienyl-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl ester, Tiotropium Bromide Monohydrate Imp D (EP)
• Brand: TRC

Description

Impurity Tiotropium EP impurity D
Applications (1R,3S,5S)-8-Methyl-8-azabicyclo[3,2,1]oct-6-en-yl-2-hydroxy-2,2-dithiophen-2-ylacetate 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);

Chemical properties

• Molecular weight: 361.48
• Formula: C₁₈H₁₉NO₃S₂
• Color/Form: Neat
• InChI: InChI=1S/C18H19NO3S2/c1-19-12-6-7-13(19)11-14(10-12)22-17(20)18(21,15-4-2-8-23-15)16-5-3-9-24-16/h2-9,12-14,21H,10-11H2,1H3/t12-,13+,14+
• InChI key: InChIKey=WUOOUIFCFAXEKJ-UHFFFAOYSA-N
• SMILES: CN1C2C=CC1CC(OC(=O)C(O)(c1cccs1)c1cccs1)C2