Product Information
Name:Phenobarbital N-beta-D-Glucuronide
Controlled Product
Synonyms:
- (2S,3S,4S,5R,6R)-6-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid
Brand:TRC
Description:Applications A metabolite of Phenobarbital (P316760).
References Soine, W.H., et al.: Drug Metab. Dispos., 12, 792 (1984), Soine, W.H., et al.: J. Pharmac. Sci., 80, 99 (1991),
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Chemical properties
Molecular weight:408.359
Formula:C18H20N2O9
Color/Form:Neat
InChI:InChI=1S/C18H20N2O9/c1-2-18(8-6-4-3-5-7-8)15(26)19-17(28)20(16(18)27)13-11(23)9(21)10(22)12(29-13)14(24)25/h3-7,9-13,21-23H,2H2,1H3,(H,24,25)(H,19,26,28)/t9-,10-,11+,12-,13+,18?/m0/s1
InChI key:InChIKey=QMKGHGCGTFFYNT-OGKJXGCJSA-N
SMILES:CCC1(c2ccccc2)C(=O)NC(=O)N([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C1=O
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