Analyte Name

N-Methyl Naltrexone Sulfate

CAS Number

1067643-19-9

Molecular Formula

C21 H25 N O7 S

Molecular Weight

435.491

Accurate Mass

435.135

SMILES

C[N+]1(CC2CC2)CC[C@]34[C@H]5Oc6c(OS(=O)(=O)[O-])ccc(C[C@@H]1[C@]3(O)CCC5=O)c46

InChI

InChI=1S/C21H25NO7S/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-15(29-30(25,26)27)18(17)28-19(20)14(23)6-7-21(20,24)16(22)10-13/h4-5,12,16,19,24H,2-3,6-11H2,1H3/t16-,19+,20+,21-,22?/m1/s1

IUPAC

[(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-yl] sulfate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat