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Metabolic Research

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3-Epi Empagliflozin-[d4]

Name: 3-Epi Empagliflozin-[d4]
Brand: BOC Sciences
Rating: 5 (1 reviews)

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General Information
Catalog: BLP-002718
Molecular Formula: C23H23D4ClO7
Molecular Weight: 454.93

Chemical Structure

Description	3-Epi Empagliflozin-[d4] is the labelled analogue of 3-Epi Empagliflozin, which is an impurity of Empagliflozin.
Synonyms	3-Epi Empagliflozin D4; (1S)-1,5-Anhydro-1-C-[4-chloro-3-[[4-[[(3R)-tetrahydro-3-furanyl]oxy]phenyl]methyl]phenyl]-D-glucitol-d4; Empagliflozin Impurity C-d4; 3'''-Epi-Empagliflozin-d4
IUPAC Name	(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[2,3,5,6-tetradeuterio-4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CAS	864070-43-9 (unlabelled)
Canonical SMILES	C1COCC1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)Cl
InChI	InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19-,20-,21+,22-,23+/m1/s1/i1D,2D,4D,5D
InChI Key	OBWASQILIWPZMG-DIHGCNJHSA-N