7,8-Didehydro Naloxone (1.0 mg/mL in Acetonitrile)

Analyte Name

7,8-Didehydronaloxone

CAS Number

26451-92-3

Molecular Formula

C19 H19 N O4

Molecular Weight

325.36

Accurate Mass

325.1314

SMILES

Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)C=C[C@@]35O

InChI

InChI=1S/C19H19NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-6,14,17,21,23H,1,7-10H2/t14-,17+,18+,19-/m1/s1

IUPAC

(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile