3-Allyl Naloxone-d5 (1mg/ml in Acetonitrile)

Analyte Name

3-Allyl Naloxone-d5

Molecular Formula

C22 D5 H20 N O4

Molecular Weight

372.469

Measured Value

1 mg/mL

Accurate Mass

372.21

SMILES

[2H]C(=C([2H])C([2H])([2H])N1CC[C@]23[C@H]4Oc5c(OCC=C)ccc(C[C@@H]1[C@]2(O)CCC4=O)c35)[2H]

InChI

InChI=1S/C22H25NO4/c1-3-10-23-11-9-21-18-14-5-6-16(26-12-4-2)19(18)27-20(21)15(24)7-8-22(21,25)17(23)13-14/h3-6,17,20,25H,1-2,7-13H2/t17-,20+,21+,22-/m1/s1/i1D2,3D,10D2

IUPAC

(4R,4aS,7aR,12bS)-4a-hydroxy-3-(1,1,2,3,3-pentadeuterioprop-2-enyl)-9-prop-2-enoxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Unlabelled CAS Number

1352085-46-1

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile