Products 139404-48-1

CAS 139404-48-1 appears in our catalog under these names: Tiotropium bromide hydrate, 97%, Tiotropium Bromide Monohydrate, Tiotropium Bromide hydrate, Tiotropium bromide hydrate, Tiotropium bromide. Offered by: Combi-blocks, Chemat Brand, Mikromol, LoGiCal, GLPBio. Available pack sizes: 1g, 5g, 250mg, on request, 10mg, 100mg, 25mg, 50mg.

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

Tiotropium bromide hydrate is a hydrate that is the monohydrate form of tiotropium bromide. Used 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.

Source: ChEBI

Identity
Molecular formulaC19H24BrNO5S2
Molecular weight490.4 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;hydrate
InChIKeyMQLXPRBEAHBZTK-KFEMZTBUSA-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.O.[Br-]

Computed by PubChem (NCBI)