O-Isobutyryl N-Methyl Naltrexone-d3 Iodide

Analyte Name

O-Isobutyryl N-Methyl Naltrexone-d3 Iodide

Molecular Formula

C25 D3 H29 N O5 . I

Molecular Weight

556.448

Accurate Mass

556.151

SMILES

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

InChI

InChI=1S/C25H32NO5.HI/c1-14(2)23(28)30-18-7-6-16-12-19-25(29)9-8-17(27)22-24(25,20(16)21(18)31-22)10-11-26(19,3)13-15-4-5-15;/h6-7,14-15,19,22,29H,4-5,8-13H2,1-3H3;1H/q+1;/p-1/t19-,22+,24+,25-,26-;/m1./s1/i3D3;

IUPAC

[(3R,4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-3-(trideuteriomethyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-yl] 2-methylpropanoate;iodide

Unlabelled CAS Number

1048360-09-3

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat