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rac Propranolol β-D-Glucuronide-[d7] Sodium Salt

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General Information
Catalog: BLP-006513
Molecular Formula: C22H21D7NNaO8
Molecular Weight: 464.49

Chemical Structure

Description	rac Propranolol β-D-Glucuronide-[d7] Sodium Salt is the labelled analogue of rac Propranolol β-D-Glucuronide Sodium Salt, which is a metabolite of Propranolol.
Synonyms	rac Propranolol-d7 β-D-Glucuronide Sodium Salt; rac Propranolol-d7 beta-D-Glucuronide Sodium Salt; (RS)-1-[(1-Methylethyl)amino]methyl]-2-(1-naphthalenyloxy)ethyl-d7 β-D-Glucopyranosiduronic Acid Sodium Salt; (RS)-Propranolol-d7 Glucuronide Sodium Salt
IUPAC Name	sodium;(3S,4S,5S,6R)-6-[1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-3-naphthalen-1-yloxypropan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
Related CAS	66322-66-5 (unlabelled free acid)
Canonical SMILES	CC(C)NCC(COC1=CC=CC2=CC=CC=C21)OC3C(C(C(C(O3)C(=O)[O-])O)O)O.[Na+]
InChI	InChI=1S/C22H29NO8.Na/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);/q;+1/p-1/t14?,17-,18-,19-,20?,22+;/m0./s1/i1D3,2D3,12D;
InChI Key	OSKYDLRSXKTYLZ-PJJLPSKRSA-M
Purity	≥95%
Appearance	Off-white Solid