Nebivolol O-beta-D-Glucuronide (Mixture of 4 Diastereomers)

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For Research Use Only | Not For Clinical Use
CATAPS010311
Synonyms6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-[2-[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl]amino]ethyl β-D-Glucopyranosiduronic Acid
IUPAC Name(2S,3S,4S,5R,6R)-6-[1-(6-fluorochroman-2-yl)-2-[[2-(6-fluorochroman-2-yl)-2-hydroxy-ethyl]amino]ethoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Weight581.56
Molecular FormulaC28H33F2NO10
Canonical SMILESOC(CNCC(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)C2CCc3cc(F)ccc3O2)C4CCc5cc(F)ccc5O4
InChIInChI=1S/C28H33F2NO10/c29-15-3-7-18-13(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/h3-4,7-10,17,20-26,28,31-35H,1-2,5-6,11-12H2,(H,36,37)/t17?,20?,21?,22?,23-,24-,25+,26-,28+/m0/s1
Accurate Mass581.2073
FormatNeat
Product TypeMetabolite
ShippingRoom Temperature
Size1MG
Storage Conditions-20°C Freezer
SubcategoryChiral molecules
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