10-Oxo Naltrexone (1.0mg/ml in Acetonitrile)

Analyte Name

10-Ketonaltrexone

CAS Number

96445-14-6

Molecular Formula

C20 H21 N O5

Molecular Weight

355.38

Measured Value

1.0 mg/mL

Accurate Mass

355.142

SMILES

Oc1ccc2C(=O)[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)C(=O)CC[C@@]36O

InChI

InChI=1S/C20H21NO5/c22-12-4-3-11-14-16(12)26-18-13(23)5-6-20(25)17(15(11)24)21(9-10-1-2-10)8-7-19(14,18)20/h3-4,10,17-18,22,25H,1-2,5-9H2/t17-,18+,19+,20-/m1/s1

IUPAC

(4S,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,13-dione

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile