Analyte Name

rac Etodolac Acyl-beta-D-glucuronide

CAS Number

79541-43-8

Molecular Formula

C23 H29 N O9

Molecular Weight

463.48

Accurate Mass

463.184

SMILES

CCc1cccc2c3CCOC(CC)(CC(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)c3[nH]c12

InChI

InChI=1S/C23H29NO9/c1-3-11-6-5-7-12-13-8-9-31-23(4-2,20(13)24-15(11)12)10-14(25)32-22-18(28)16(26)17(27)19(33-22)21(29)30/h5-7,16-19,22,24,26-28H,3-4,8-10H2,1-2H3,(H,29,30)/t16-,17-,18+,19-,22+,23?/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[2-(1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; Metabolite

Product Format

Neat