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rac-Propranolol-O-β-D-glucuronide-[d7]

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General Information
Catalog: BLP-004082
Molecular Formula: C22H22D7NO8
Molecular Weight: 442.51

Chemical Structure

Description	Labelled compound of rac-Propranolol-O-β-D-glucuronide.
IUPAC Name	6-[1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-3-naphthalen-1-yloxypropan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Canonical SMILES	CC(C)NCC(COC1=CC=CC2=CC=CC=C21)OC3C(C(C(C(O3)C(=O)O)O)O)O
InChI	InChI=1S/C22H29NO8/c1-12(2)23-10-14(11-29-16-9-5-7-13-6-3-4-8-15(13)16)30-22-19(26)17(24)18(25)20(31-22)21(27)28/h3-9,12,14,17-20,22-26H,10-11H2,1-2H3,(H,27,28)/i1D3,2D3,12D
InChI Key	PCALHJGQCKATMK-QLWPOVNFSA-N
Purity	>95%