Analyte Name

Apobuscopan-d9

Molecular Formula

C21 D9 H19 N O3 . Br

Molecular Weight

431.411

Accurate Mass

430.182

SMILES

[Br-].[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[N@@+]1(C)[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)C(=C)c4ccccc4

InChI

InChI=1S/C21H28NO3.BrH/c1-4-5-11-22(3)17-12-16(13-18(22)20-19(17)25-20)24-21(23)14(2)15-9-7-6-8-10-15;/h6-10,16-20H,2,4-5,11-13H2,1,3H3;1H/q+1;/p-1/t16-,17-,18+,19-,20+,22+;/i1D3,4D2,5D2,11D2;

IUPAC

[(1R,2R,4S,5S)-9-methyl-9-(1,1,2,2,3,3,4,4,4-nonadeuteriobutyl)-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate;bromide

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat