Analyte Name

Tiotropium bromide monohydrate

CAS Number

411207-31-3

Molecular Formula

C19 H22 N O4 S2 . Br . H2O

Molecular Weight

490.43

Accurate Mass

489.03

SMILES

O.[Br-].C[N+]1(C)[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)C(O)(c4cccs4)c5cccs5

InChI

InChI=1S/C19H22NO4S2.BrH.H2O/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, /p-1/t11-,12-,13+,16-,17+, , /h3-8,11-13,16-17,22H,9-10H2,1-2H3, 1H, 1H2/q+1,

IUPAC

(1R,2R,4S,5S,7s)-7-(2-hydroxy-2,2-di(thiophen-2-yl)acetoxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide hydrate

Alternate CAS Number

xHydrate: 139404-48-1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Tiotropium Bromide Monohydrate