Oxoprenolol Glucuronide
[CAS# 53564-66-2]

Identification

• Name: Oxoprenolol Glucuronide
• Synonyms: (2S,3S,4S,5R,6R)-6-[1-[(2-Allyloxyphenoxy)Methyl]-2-(Isopropylamino)Ethoxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6R)-6-[1-[(2-Allyloxyphenoxy)Methyl]-2-(Isopropylamino)Ethoxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[1-(Propan-2-Ylamino)-3-(2-Prop-2-Enoxyphenoxy)Propan-2-Yl]Oxy-Oxane-2-Carboxylic Acid
• Molecular Formula: C₂₁H₃₁NO₉
• Molecular Weight: 441.48
• CAS Registry Number: 53564-66-2
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)OC(COC2=CC=CC=C2OCC=C)CNC(C)C
• InChI: 1S/C21H31NO9/c1-4-9-28-14-7-5-6-8-15(14)29-11-13(10-22-12(2)3)30-21-18(25)16(23)17(24)19(31-21)20(26)27/h4-8,12-13,16-19,21-25H,1,9-11H2,2-3H3,(H,26,27)/t13?,16-,17-,18+,19-,21+/m0/s1
• InChIKey: CJVSRVDYHNLUAN-DNPGXZAYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)
• Boiling point: 664.738°C at 760 mmHg (Cal.)
• Flash point: 355.821°C (Cal.)