Tiotropium-d3 Bromide

Analyte Name

Tiotropium N-methyl-d3 bromide

CAS Number

1127226-56-5

Molecular Formula

C19 D3 H19 N O4 S2 . Br

Molecular Weight

475.435

Accurate Mass

474.036

SMILES

[Br-].[2H]C([2H])([2H])[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/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+;/i1D3;/t11-,12-,13+,16-,17+,20?;

IUPAC

[(1R,2R,4S,5S)-9-methyl-9-(trideuteriomethyl)-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate bromide

Alternate CAS Number

1352567-52-2

Unlabelled CAS Number

136310-93-5

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Tiotropium Bromide; Tiotropium

Purity

>95% (HPLC)