API0232797

Tiotropium Bromide

Tiotropium Bromide is an anticholinergic used for COPD.

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Molecular Weight (g/mol)

472.4
Molecular Formula

C19H22BrNO4S2
InChI

InChI=1S/C19H22NO4S2.BrH/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H/q+1;/p-1/t11?,12-,13+,16-,17+;
InChIKey

DQHNAVOVODVIMG-RGECMCKFSA-M
SMILES

C[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-]
IUPAC Name

[(1S,2S,4R,5R)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;bromide
Exact Mass (Da)

471.01736
Monoisotopic Mass (Da)

471.01736

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