Analyte Name

Tiotropium-d6 Iodide

Molecular Formula

C19 D6 H16 N O4 S2 . I

Molecular Weight

525.454

Accurate Mass

525.041

SMILES

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

InChI

InChI=1S/C19H22NO4S2.HI/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+;/i1D3,2D3;

IUPAC

[(1R,2R,4S,5S)-9,9-bis(trideuteriomethyl)-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;iodide

Unlabelled CAS Number

412010-61-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat