Hydromorphone-3-glucuronide (1.0mg/ml in DMSO) SEE KIT4893

Analyte Name

Hydromorphone-3beta-D-glucuronide

CAS Number

40505-76-8

Molecular Formula

C23 H27 N O9

Molecular Weight

461.46

Accurate Mass

461.1686

SMILES

CN1CC[C@@]23[C@H]4CCC(=O)[C@@H]2Oc5c(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O)ccc(C[C@@H]14)c35

InChI

InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2,5,10-11,15-17,19-20,22,26-28H,3-4,6-8H2,1H3,(H,29,30)/t10-,11+,15-,16-,17+,19-,20-,22+,23-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[[(4R,4aR,7aR,12bS)-3-methyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Country of Origin

CANADA

Product Format

Single Solution

Matrix

DMSO