Analyte Name

(+/-)-beta-Hydrastine-d3

CAS Number

1346598-42-2

Molecular Formula

C21 D3 H18 N O6

Molecular Weight

386.413

Accurate Mass

386.156

SMILES

[2H]C([2H])([2H])N1CCc2cc3OCOc3cc2[C@H]1[C@@H]4OC(=O)c5c(OC)c(OC)ccc45

InChI

InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m0/s1/i1D3

IUPAC

(3R)-6,7-dimethoxy-3-[(5S)-6-(trideuteriomethyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one

Unlabelled CAS Number

60594-55-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat