(±)-Ipratropium-d3 Bromide (N-methyl-d3)

Analyte Name

(±)-Ipratropium-d3 Bromide (N-methyl-d3)

Molecular Formula

C20 D3 H27 N O3 . Br

Molecular Weight

415.3796

Accurate Mass

414.1597

SMILES

[Br-].[2H]C([2H])([2H])[N@+]1(C(C)C)[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3

InChI

InChI=1S/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1/t16-,17+,18+,19?,21+;/i3D3;

IUPAC

[(1R,5S)-8-propan-2-yl-8-(trideuteriomethyl)-8-azoniabicyclo[3.2.1]octan-3-yl] (2RS)-3-hydroxy-2-phenylpropanoate;bromide

Unlabelled CAS Number

22254-24-6

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat