2'-Hydroxymethylmethaqualone Glucuronide
[CAS# 53551-53-4]

Identification

• Name: 2'-Hydroxymethylmethaqualone Glucuronide
• Synonyms: (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[2-(2-Methyl-4-Oxo-Quinazolin-3-Yl)Phenyl]Methoxy]Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[[2-(2-Methyl-4-Oxo-3-Quinazolinyl)Phenyl]Methoxy]-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[2-(4-Keto-2-Methyl-Quinazolin-3-Yl)Benzyl]Oxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₂H₂₂N₂O₈
• Molecular Weight: 442.42
• CAS Registry Number: 53551-53-4
• SMILES: [C@H]4(OCC1=CC=CC=C1N2C(=NC3=C(C2=O)C=CC=C3)C)[C@H](O)[C@@H](O)[C@H](O)[C@H](O4)C(=O)O
• InChI: 1S/C22H22N2O8/c1-11-23-14-8-4-3-7-13(14)20(28)24(11)15-9-5-2-6-12(15)10-31-22-18(27)16(25)17(26)19(32-22)21(29)30/h2-9,16-19,22,25-27H,10H2,1H3,(H,29,30)/t16-,17-,18+,19-,22+/m0/s1
• InChIKey: WBHLKSPUFNHOSS-KSSXRGRSSA-N

Properties

• Density: 1.56g/cm³ (Cal.)
• Boiling point: 721.359°C at 760 mmHg (Cal.)
• Flash point: 390.064°C (Cal.)