Phenobarbital N-beta-D-Glucuronide
Product Code
TRC-P316770-100MG
CAS Number
Product Format
Neat
Molecular Formula
C18 H20 N2 O9
Molecular Weight
408.359
Product Categories
Product Information
Chemical Data
Analyte Name
Phenobarbital N-beta-D-Glucuronide
CAS Number
1031858-68-0
Molecular Formula
C18 H20 N2 O9
Molecular Weight
408.359
Accurate Mass
408.117
SMILES
CCC1(C(=O)NC(=O)N([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)C1=O)c3ccccc3
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
IUPAC
(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
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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