Morphine-d3 3-beta-D-Glucuronide (1mg/ml in Acetonitrile)

Analyte Name

Morphine-3beta-D-glucuronide-D3

CAS Number

136765-44-1

Molecular Formula

C23 2H3 H24 N O9

Molecular Weight

464.48

Measured Value

1 mg/mL

Accurate Mass

464.1874

SMILES

[2H]C([2H])([2H])N1CC[C@]23[C@H]4Oc5c(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35

InChI

InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1/i1D3

IUPAC

(2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Unlabelled CAS Number

20290-09-9

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile