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

Analyte Name

3-O-Allylnaloxone

CAS Number

1352085-46-1

Molecular Formula

C22 H25 N O4

Molecular Weight

367.44

Measured Value

1 mg/mL

Accurate Mass

367.1784

SMILES

O[C@]12CCC(=O)[C@@H]3Oc4c(OCC=C)ccc5C[C@H]1N(CC=C)CC[C@@]23c45

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

IUPAC

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

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile