Analyte Name

2-Nitrocodeine

CAS Number

49751-22-6

Molecular Formula

C18H20N2O5

Molecular Weight

344.36

Measured Value

1 mg/mL

Accurate Mass

344.14

SMILES

O[C@@H]1[C@@]2([H])[C@]34C5=C(C[C@](N(CC4)C)([H])[C@]3([H])C=C1)C=C(N(=O)=O)C(OC)=C5O2

InChI

InChI=1S/C18H20N2O5/c1-19-6-5-18-10-3-4-13(21)17(18)25-16-14(18)9(7-11(10)19)8-12(20(22)23)15(16)24-2/h3-4,8,10-11,13,17,21H,5-7H2,1-2H3/t10-,11+,13-,17-,18-/m0/s1

IUPAC

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

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile