N-Methyl Naltrexone-d3 Bromide

Analyte Name

N-Methyl Naltrexone-d3 Bromide

Molecular Formula

C21 H23 D3 Br N O4

Molecular Weight

439.36

Accurate Mass

438.1234

SMILES

[Br-].[2H]C([2H])([2H])[N+]1(CC2CC2)CC[C@]34[C@H]5Oc6c(O)ccc(C[C@@H]1[C@]3(O)CCC5=O)c46

InChI

InChI=1S/C21H25NO4.BrH/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13;/h4-5,12,16,19,25H,2-3,6-11H2,1H3;1H/t16-,19+,20+,21-,22?;/m1./s1/i1D3;

IUPAC

(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-(trideuteriomethyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium-7-one;bromide

Unlabelled CAS Number

73232-52-7

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Naltrexone

Purity

>95% (HPLC)