Analyte Name

Codeine beta-D-Glucuronide Triacetate Methyl Ester-d3

CAS Number

224966-47-6

Molecular Formula

C21H34D3NO12

Molecular Weight

618.64

Accurate Mass

618.2504

SMILES

[2H]C([2H])([2H])N1CC[C@]23[C@H]4Oc5c(OC)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O[C@@H]6O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]6OC(=O)C)C(=O)OC)c35

InChI

InChI=1S/C31H37NO12/c1-14(33)39-24-25(40-15(2)34)27(41-16(3)35)30(44-26(24)29(36)38-6)42-21-10-8-18-19-13-17-7-9-20(37-5)23-22(17)31(18,28(21)43-23)11-12-32(19)4/h7-10,18-19,21,24-28,30H,11-13H2,1-6H3/t18-,19+,21-,24-,25-,26-,27+,28-,30+,31-/m0/s1/i4D3

IUPAC

methyl (2S,3S,4S,5R,6R)-6-[[(4R,4aR,7S,7aR,12bS)-9-methoxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]oxy]-3,4,5-triacetyloxyoxane-2-carboxylate

Unlabelled CAS Number

20736-10-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat