Phenobarbital-N-Glucoside
[CAS# 72209-10-0]

Identification

• Name: Phenobarbital-N-Glucoside
• Synonyms: 5-Ethyl-5-Phenyl-1-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Hexahydropyrimidine-2,4,6-Trione; 5-Ethyl-5-Phenyl-1-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Hexahydropyrimidine-2,4,6-Trione; 5-Ethyl-5-Phenyl-1-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Barbituric Acid
• Molecular Formula: C₁₈H₂₂N₂O₈
• Molecular Weight: 394.38
• CAS Registry Number: 72209-10-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)N2C(=O)C(C(=O)NC2=O)(C3=CC=CC=C3)CC
• InChI: 1S/C18H22N2O8/c1-2-18(9-6-4-3-5-7-9)15(25)19-17(27)20(16(18)26)14-13(24)12(23)11(22)10(8-21)28-14/h3-7,10-14,21-24H,2,8H2,1H3,(H,19,25,27)/t10-,11-,12+,13-,14-,18?/m1/s1
• InChIKey: KKRIJCSEOJCKLM-KBBLASEFSA-N

Properties

• Density: 1.494g/cm³ (Cal.)