Isomethadone Hydrochloride (1 mg/ml in Acetonitrile)

Analyte Name

Isomethadone Hydrochloride

CAS Number

5341-49-1

Molecular Formula

C21 H27 N O . Cl H

Molecular Weight

345.91

Measured Value

1 mg/mL

Accurate Mass

345.1859

SMILES

Cl.CCC(=O)C(C(C)CN(C)C)(c1ccccc1)c2ccccc2

InChI

InChI=1S/C21H27NO.ClH/c1-5-20(23)21(17(2)16-22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H

IUPAC

6-(dimethylamino)-5-methyl-4,4-diphenylhexan-3-one;hydrochloride

Alternate CAS Number

Free base: 466-40-0

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile