Products 136310-93-5

CAS 136310-93-5 appears in our catalog under these names: Tiotropium bromide, 97%, Tiotropium Bromide, Tiotropium Bromide Impurity 8, Tiotropium Bromide, >95% (HPLC), Tiotropium Bromide , min 98% Chemical Purity. Offered by: Combi-blocks, Chemat Brand, TRC, CDN, TargetMol. Available pack sizes: 5g, 1g, 250mg, on request, 100mg, 1mg, 5mg, 0,01g.

Structural formula: {0} (CAS {1})

Tiotropium bromide is an organic bromide salt having (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane as the counterion. Used (in the form of the hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. It has a role as a bronchodilator agent and a muscarinic antagonist. It is a quaternary ammonium salt and an organic bromide salt.

Source: ChEBI

Identity
Molecular formulaC19H22BrNO4S2
Molecular weight472.4 g/mol
IUPAC name[(1R,2R,4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate bromide
InChIKeyDQHNAVOVODVIMG-RGECMCKFSA-M
SMILESC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-]

Computed by PubChem (NCBI)