Codeine Phosphate (1mg/ml in Methanol)

Analyte Name

Codeine Phosphate

CAS Number

52-28-8

Molecular Formula

C18 H21 N O3 . H3 O4 P

Molecular Weight

397.36

Measured Value

1 mg/mL

Accurate Mass

397.129

SMILES

COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.OP(=O)(O)O

InChI

InChI=1S/C18H21NO3.H3O4P/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-5(2,3)4/h3-6,11-13,17,20H,7-9H2,1-2H3;(H3,1,2,3,4)/t11-,12+,13-,17-,18-;/m0./s1

IUPAC

(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol;phosphoric acid

Alternate CAS Number

Free amine: 76-57-3

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Methanol