Scopolamine N-Oxide-d3

Analyte Name

Scopolamine N-Oxide-d3

Molecular Formula

C17 D3 H18 N O5

Molecular Weight

322.371

Accurate Mass

322.161

SMILES

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

InChI

InChI=1S/C17H21NO5/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13-,14+,15-,16+,18?/m1/s1/i1D3

IUPAC

[(1R,2R,4S,5S)-9-oxo-9-(trideuteriomethyl)-3-oxa-9?5-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate

Unlabelled CAS Number

97-75-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat