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4-Hydroxy Duloxetine beta-D-Glucuronide-[d6]

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General Information
Catalog: BLP-002905
Molecular Formula: C24H21D6NO8S
Molecular Weight: 495.58

Chemical Structure

Description	4-Hydroxy Duloxetine beta-D-Glucuronide-[d6] is the labelled analogue of 4-Hydroxy Duloxetine beta-D-Glucuronide, which is a metabolite of Duloxetine.
Synonyms	4-Hydroxy Duloxetine-d6 beta-D-Glucuronide; 4-[(1S)-3-(Methylamino)-1-(2-thienyl)propoxy]-1-(naphthalenyl-d6)β-D-Glucopyranosiduronic Acid
IUPAC Name	(2S,3S,4S,5R,6S)-6-[2,3,5,6,7,8-hexadeuterio-4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]naphthalen-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CAS	741693-83-4 (unlabelled)
Canonical SMILES	CNCCC(C1=CC=CS1)OC2=CC=C(C3=CC=CC=C32)OC4C(C(C(C(O4)C(=O)O)O)O)O
InChI	InChI=1S/C24H27NO8S/c1-25-11-10-17(18-7-4-12-34-18)31-15-8-9-16(14-6-3-2-5-13(14)15)32-24-21(28)19(26)20(27)22(33-24)23(29)30/h2-9,12,17,19-22,24-28H,10-11H2,1H3,(H,29,30)/t17-,19-,20-,21+,22-,24+/m0/s1/i2D,3D,5D,6D,8D,9D
InChI Key	OBIZFSZXDHWUJZ-QYKOWTHDSA-N