N-Methyl 6-Oxo Naltrexone Bromide

Analyte Name

N-Methyl 6-Oxo Naltrexone Bromide

Molecular Formula

C21 H24 N O5 . Br

Molecular Weight

450.323

Accurate Mass

449.084

SMILES

[Br-].C[N@+]1(CC2CC2)CC[C@]34[C@H]5Oc6c(O)ccc(C[C@@H]1[C@]3(O)CC(=O)C5=O)c46

InChI

InChI=1S/C21H23NO5.BrH/c1-22(10-11-2-3-11)7-6-20-16-12-4-5-13(23)18(16)27-19(20)17(25)14(24)9-21(20,26)15(22)8-12;/h4-5,11,15,19,26H,2-3,6-10H2,1H3;1H/t15-,19+,20+,21-,22-;/m1./s1

IUPAC

(3R,4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-6,7-dione;bromide

Storage Temperature

+20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat