Products 1031858-68-0

CAS 1031858-68-0 is the registry number for Phenobarbital N-beta-D-Glucuronide. Offered by: TRC. Available pack sizes: 100mg.

Phenobarbital N-beta-D-Glucuronide
TRC
  • size: 100mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(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 (CAS 1031858-68-0) is a chemical compound with the molecular formula C18H20N2O9 and a molecular weight of 408.4 g/mol. IUPAC name: (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. InChIKey: QMKGHGCGTFFYNT-OGKJXGCJSA-N.

Identity
Molecular formulaC18H20N2O9
Molecular weight408.4 g/mol
IUPAC name(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
InChIKeyQMKGHGCGTFFYNT-OGKJXGCJSA-N
SMILESCCC1(C(=O)NC(=O)N(C1=O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C3=CC=CC=C3

Computed by PubChem (NCBI)

Synonyms: Phenobarbital N-?-D-Glucuronide, 5-Ethyl-1-beta-D-glucopyranuronosyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione, PHENOBARBITAL N-BETA-D-GLUCURONIDE, 5-Ethyl-1-beta-D-glucopyranuronosyl-5-phenyl-1,3-diazinane-2,4,6-trione
Isomers (same molecular formula)
[(2R,3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-hydroxy-2-methoxy-6-methylbenzoate C18H20N2O9