(+)-Nebivolol O-β-D-Glucuronide(Mixture of 2 Diastereomers)

CAS: 904917-24-4

Ref. TR-N387885

Product Information

• Name: (+)-Nebivolol O-β-D-Glucuronide(Mixture of 2 Diastereomers)
• Synonyms: (1R)-1-[(2R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-[[(2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl]amino]ethyl β-D-Glucopyranosiduronic Acid
• Brand: TRC
• Description: Applications (+)-Nebivolol (N387896) metabolite.

Chemical properties

• Molecular weight: 1163.118
• Formula: C₂₈H₃₃F₂NO₁₀
• Color/Form: Neat
• InChI: InChI=1S/2C28H33F2NO10/c2*29-15-3-7-18-13(9-15)1-5-20(38-18)17(32)11-31-12-22(21-6-2-14-10-16(30)4-8-19(14)39-21)40-28-25(35)23(33)24(34)26(41-28)27(36)37/h2*3-4,7-10,17,20-26,28,31-35H,1-2,5-6,11-12H2,(H,36,37)/t17-,20+,21-,22-,23+,24+,25-,26?,28-;17-,20-,21+,22-,23+,24+,25-,26?,28?/m11/s1
• SMILES: O=C(O)[C@H]1OC(O[C@H](CNC[C@@H](O)[C@H]2CCc3cc(F)ccc3O2)[C@@H]2CCc3cc(F)ccc3O2)[C@H](O)[C@@H](O)[C@@H]1O.O=C(O)[C@H]1O[C@@H](O[C@H](CNC[C@@H](O)[C@@H]2CCc3cc(F)ccc3O2)[C@H]2CCc3cc(F)ccc3O2)[C@H](O)[C@@H](O)[C@@H]1O