(-)-Nebivolol O-beta-D-Glucuronide(Mixture of 2 Diastereomers)

Analyte Name

(-)-Nebivolol O-beta-D-Glucuronide(Mixture of 2 Diastereomers)

Molecular Formula

C28H33F2NO10

Molecular Weight

581.56

Accurate Mass

581.21

SMILES

FC1=CC(CC[C@@]([C@@H](O)CNC[C@H](O[C@@H]2O[C@H](C(O)=O)[C@H]([C@H](O)[C@H]2O)O)[C@]3([H])CCC(C=C(F)C=C4)=C4O3)([H])O5)=C5C=C1.FC6=CC(CC[C@@]([C@@H](OC7O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]7O)CNC[C@H](O)[C@]8([H])CCC(C=C(F)C=C9)=C9O8)([H])O%10)=C%10C=C6

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?/m00/s1

IUPAC

(2S,3S,4S,5R)-6-((S)-1-((R)-6-fluorochroman-2-yl)-2-(((S)-2-((S)-6-fluorochroman-2-yl)-2-hydroxyethyl)amino)ethoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid--(2S,3S,4S,5R,6R)-6-((S)-1-((S)-6-fluorochroman-2-yl)-2-(((S)-2-((R)-6-fluorochroman-2-yl)-2-hydroxyethyl)amino)ethoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (1/1)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat