Scopolamine-d3 Hydrobromide Hydrate

Analyte Name

Scopolamine-d3 Hydrobromide Hydrate

Molecular Formula

C17 H18 D3 N O4 . BrH. x[H2O]

SMILES

O.Br.[2H]C([2H])([2H])N1[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4

InChI

InChI=1S/C17H21NO4.BrH.H2O/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;;/h2-6,11-16,19H,7-9H2,1H3;1H;1H2/t11-,12-,13-,14+,15-,16+;;/m1../s1/i1D3;;

IUPAC

[(1S,2S,4R,5R)-9-(trideuteriomethyl)-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-7-yl] (2S)-3-hydroxy-2-phenyl-propanoate;hydrate;hydrobromide

Alternate CAS Number

1279037-70-5

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)