Analyte Name

2-Bromo Codeine

CAS Number

898286-95-8

Molecular Formula

C18H20BrNO3

Molecular Weight

378.26

Accurate Mass

377.06

SMILES

COC1=C2O[C@@H]3[C@]45C2=C(C=C1Br)C[C@@H](N(CC5)C)[C@]4([H])C=C[C@@H]3O

InChI

InChI=1S/C18H20BrNO3/c1-20-6-5-18-10-3-4-13(21)17(18)23-16-14(18)9(8-12(10)20)7-11(19)15(16)22-2/h3-4,7,10,12-13,17,21H,5-6,8H2,1-2H3/t10-,12+,13-,17-,18-/m0/s1

IUPAC

(4R,4aR,7S,7aR,12bS)-10-bromo-9-methoxy-3-methyl-2,3,4,4a,7,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat