Dapagliflozin 3-O-beta-D-Glucuronide-d5
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- structure.search.product.name Dapagliflozin 3-O-beta-D-Glucuronide-d5
- Product Code: TRC-D185382
- Brand: TRC
Product Overview
Product Code
TRC-D185382
Product Format
Neat
Molecular Formula
C27 D5 H28 Cl O12
Molecular Weight
590.028
Product Categories
Unlabelled CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
Dapagliflozin 3-O-beta-D-Glucuronide-d5
Molecular Formula
C27 D5 H28 Cl O12
Molecular Weight
590.028
Accurate Mass
589.197
SMILES
[2H]C([2H])([2H])C([2H])([2H])Oc1ccc(Cc2cc(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)cc1
InChI
InChI=1S/C27H33ClO12/c1-2-37-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)28)23-22(34)24(18(30)17(11-29)38-23)39-27-21(33)19(31)20(32)25(40-27)26(35)36/h3-8,10,17-25,27,29-34H,2,9,11H2,1H3,(H,35,36)/t17-,18-,19+,20+,21-,22+,23+,24+,25+,27-/m1/s1/i1D3,2D2
IUPAC
(2S,3S,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-2-[4-chloro-3-[[4-(1,1,2,2,2-pentadeuterioethoxy)phenyl]methyl]phenyl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Unlabelled CAS Number
1351438-75-9
SIL Type
Deuterium
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Impurity; Stable Isotope Labelled
Product Format
Neat
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