Analyte Name

6beta-Nalbuphine-d3 Hydrochloride

Molecular Formula

C21 D3 H24 N O4 . H Cl

Molecular Weight

396.923

Accurate Mass

396.19

SMILES

Cl.[2H]C([2H])(C1CCC1)N2CC[C@]34[C@H]5Oc6c(O)ccc(C[C@@H]2[C@]3(O)CC[C@@]5([2H])O)c46

InChI

InChI=1S/C21H27NO4.ClH/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12;/h4-5,12,15-16,19,23-25H,1-3,6-11H2;1H/t15-,16-,19+,20+,21-;/m1./s1/i11D2,15D;

IUPAC

(4R,4aS,7R,7aR,12bS)-3-[cyclobutyl(dideuterio)methyl]-7-deuterio-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol;hydrochloride

Unlabelled CAS Number

60018-68-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Stable Isotope Labelled

Product Format

Neat