Dihydrocodeine sulfonic acid sodium salt (mixture of diastereomers)

Nazwa analitu

Dihydrocodeine sulfonic acid sodium salt (mixture of diastereomers)

Wzór cząsteczkowy

C18H22NO6S.Na

Masa cząsteczkowa

403.42

Dokładna masa

403.11

SMILES

O[C@@H]1[C@H]2[C@@]3(CCN4C)[C@@]([C@H]4CC5=C3C(O2)=C(OC)C=C5)([H])C(S(=O)(O[Na])=O)C1

InChI

InChI=1S/C18H23NO6S.Na/c1-19-6-5-18-14-9-3-4-12(24-2)16(14)25-17(18)11(20)8-13(26(21,22)23)15(18)10(19)7-9;/h3-4,10-11,13,15,17,20H,5-8H2,1-2H3,(H,21,22,23);/q;+1/p-1/t10-,11+,13?,15-,17+,18-;/m1./s1

IUPAC

sodium (4R,4aR,7S,7aR,12bS)-7-hydroxy-9-methoxy-3-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-5-sulfonate

Kraj pochodzenia

CANADA

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