Analyte Name

Codeine Phosphate Hemihydrate

CAS Number

41444-62-6

Molecular Formula

2 C18 H21 N O3 . 2 H3 O4 P . H2 O

Molecular Weight

812.73

Accurate Mass

812.2686

SMILES

O.COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.COc6ccc7C[C@@H]8[C@@H]9C=C[C@H](O)[C@@H]%10Oc6c7[C@]9%10CCN8C.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/2C18H21NO3.2H3O4P.H2O/c2*1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;2*1-5(2,3)4;/h2*3-6,11-13,17,20H,7-9H2,1-2H3;2*(H3,1,2,3,4);1H2/t2*11-,12+,13-,17-,18-;;;/m00.../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;hydrate

Storage Temperature

2-8C Fridge/Coldroom

Shipping Temperature

Room Temperature

Country of Origin

UNITED KINGDOM

Product Type

API

Product Format

Neat

API Family

Hydrocodone Hydrogen Tartrate 2.5-Hydrate; Pholcodine Monohydrate; Morphine Sulphate; Codeine Monohydrate; Ethylmorphine Hydrochloride; Morphine Hydrochloride; Dihydrocodeine Hydrogen Tartrate

Analytical Method

Monograph only