Heroin-D9 (3,6-Diacetylmorphine-D9)

Analyte Name

Heroin-D9

CAS Number

1338713-49-7

Molecular Formula

C21 2H9 H14 N O5

Molecular Weight

378.47

Accurate Mass

378.2141

SMILES

[2H]C([2H])([2H])N1CC[C@]23[C@H]4Oc5c(OC(=O)C([2H])([2H])[2H])ccc(C[C@@H]1[C@@H]2C=C[C@@H]4OC(=O)C([2H])([2H])[2H])c35

InChI

InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1/i1D3,2D3,3D3

IUPAC

[(4R,4aR,7S,7aR,12bS)-7-(2,2,2-trideuterioacetyl)oxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl] 2,2,2-trideuterioacetate

SIL Type

Deuterium

Storage Temperature

+5°C

Shipping Temperature

Room Temperature

Country of Origin

SWITZERLAND

Product Format

Neat