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Dapagliflozin 3-O-β-D-Glucuronide-[d5]

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General Information
Catalog: BLP-002427
Molecular Formula: C27H28D5ClO12
Molecular Weight: 590.03

Chemical Structure

Description	Dapagliflozin 3-O-β-D-Glucuronide-[d5], is the labelled analogue of Dapagliflozin 3-O-β-D-Glucuronide, which is a metabolite of Dapagliflozin. Dapagliflozin is a medication used to treat type 2 diabetes and, with certain restrictions, type 2 diabetes.
Synonyms	Dapagliflozin 3-O-β-D-Glucuronide-d5
IUPAC Name	(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
Related CAS	1351438-75-9 (unlabelled)
Canonical SMILES	CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)Cl
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
InChI Key	ZYZULHSUKTZGTR-JZICJDCKSA-N