Nalmefene 3-sulfate

Analyte Name

Nalmefene 3-sulfate

Molecular Formula

C21 H25 N O6 S

Molecular Weight

419.491

Accurate Mass

419.14

SMILES

O[C@]12CCC(=C)[C@@H]3Oc4c(OS(=O)(=O)O)ccc5C[C@H]1N(CC6CC6)CC[C@@]23c45

InChI

InChI=1S/C21H25NO6S/c1-12-6-7-21(23)16-10-14-4-5-15(28-29(24,25)26)18-17(14)20(21,19(12)27-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23H,1-3,6-11H2,(H,24,25,26)/t16-,19+,20+,21-/m1/s1

IUPAC

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

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Nalmefene Hydrochloride

Purity

>95% (HPLC)