1-Keto Dapagliflozin 3-O-beta-D-Glucuronide
Product Code
TRC-K195650-100MG
Product Format
Neat
Molecular Formula
C27 H31 Cl O13
Molecular Weight
598.98
Product Categories
Product Information
Chemical Data
Analyte Name
1-Keto Dapagliflozin 3-O-beta-D-Glucuronide
Molecular Formula
C27 H31 Cl O13
Molecular Weight
598.98
Accurate Mass
598.145
SMILES
CCOc1ccc(cc1)C(=O)c2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)[C@H]3O
InChI
InChI=1S/C27H31ClO13/c1-2-38-13-6-3-11(4-7-13)17(30)14-9-12(5-8-15(14)28)23-22(35)24(18(31)16(10-29)39-23)40-27-21(34)19(32)20(33)25(41-27)26(36)37/h3-9,16,18-25,27,29,31-35H,2,10H2,1H3,(H,36,37)/t16-,18-,19+,20+,21-,22+,23+,24+,25+,27-/m1/s1
IUPAC
(2S,3S,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-2-[4-chloro-3-(4-ethoxybenzoyl)phenyl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat