Analyte Name

Naltrexone 3-Methyl Ether

CAS Number

16617-07-5

Molecular Formula

C21H25NO4

Molecular Weight

355.43

Measured Value

1 mg/mL

Accurate Mass

355.1784

SMILES

COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56[C@@H](Oc1c25)C(=O)CC[C@@]36O

InChI

InChI=1S/C21H25NO4/c1-25-15-5-4-13-10-16-21(24)7-6-14(23)19-20(21,17(13)18(15)26-19)8-9-22(16)11-12-2-3-12/h4-5,12,16,19,24H,2-3,6-11H2,1H3/t16-,19+,20+,21-/m1/s1

IUPAC

(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-methoxy-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