Analyte Name

p-Hydroxy Phenobarbital Glucuronide

CAS Number

18743-41-4

Molecular Formula

C18 H20 N2 O10

Molecular Weight

424.359

Accurate Mass

424.112

SMILES

CCC1(C(=O)NC(=O)NC1=O)c2ccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)cc2

InChI

InChI=1S/C18H20N2O10/c1-2-18(15(26)19-17(28)20-16(18)27)7-3-5-8(6-4-7)29-14-11(23)9(21)10(22)12(30-14)13(24)25/h3-6,9-12,14,21-23H,2H2,1H3,(H,24,25)(H2,19,20,26,27,28)/t9-,10-,11+,12-,14+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[4-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat