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1,4-Anhydro-1,5-dihydroxy-Empagliflozin-[d4]

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General Information
Catalog: BLP-001742
Molecular Formula: C23H23D4ClO7
Molecular Weight: 454.93

Chemical Structure

Description	1,4-Anhydro-1,5-dihydroxy-Empagliflozin-[d4], is the labelled analogue of 1,4-Anhydro-1,5-dihydroxy-Empagliflozin, which is an impurity of Empagliflozin.
Synonyms	1,4-Anhydro-1,5-dihydroxy-Empagliflozin D4
IUPAC Name	(3R,4R,5S)-2-[4-chloro-3-[[2,3,5,6-tetradeuterio-4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-5-[(1R)-1,2-dihydroxyethyl]oxolane-3,4-diol
Related CAS	1620758-31-7 (unlabelled)
Canonical SMILES	C1COCC1OC2=CC=C(C=C2)CC3=C(C=CC(=C3)C4C(C(C(O4)C(CO)O)O)O)Cl
InChI	InChI=1S/C23H27ClO7/c24-18-6-3-14(22-20(27)21(28)23(31-22)19(26)11-25)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	RAQUDPJZAZMKRD-YADQHTTNSA-N
Purity	> 98%