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rac 4-Hydroxy Propranolol β-D-Glucuronide-[d7]

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General Information
Catalog: BLP-007873
Molecular Formula: C22H22D7NO9
Molecular Weight: 458.51

Chemical Structure

Description	rac 4-Hydroxy Propranolol β-D-Glucuronide-[d7] is the labelled analogue of rac 4-Hydroxy Propranolol β-D-Glucuronide, which is a metabolite of Propranolol. Propranolol is a Beta 1 adrenergic receptor antagonist and could be used for the treatment of high blood pressure, irregular heart rate, thyrotoxicosis, capillary hemangiomas, performance anxiety and essential tremors.
Synonyms	4-[2-Hydroxy-3-[(1-methylethyl-d7)amino]propoxy]-1-naphthalenyl β-D-glucopyranosiduronic acid; rac 4-Hydroxy Propranolol-d7 β-D-Glucuronide; rac 4-Hydroxy Propranolol-d7 beta-D-Glucuronide
IUPAC Name	(2S,3S,4S,5R,6S)-6-[4-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-hydroxypropoxy]naphthalen-1-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CAS	94731-13-2 (unlabelled)
Canonical SMILES	CC(C)NCC(COC1=CC=C(C2=CC=CC=C21)OC3C(C(C(C(O3)C(=O)O)O)O)O)O
InChI	InChI=1S/C22H29NO9/c1-11(2)23-9-12(24)10-30-15-7-8-16(14-6-4-3-5-13(14)15)31-22-19(27)17(25)18(26)20(32-22)21(28)29/h3-8,11-12,17-20,22-27H,9-10H2,1-2H3,(H,28,29)/t12?,17-,18-,19+,20-,22+/m0/s1/i1D3,2D3,11D
InChI Key	GCESUDQAKCEBSY-MDJNYRIXSA-N
Solubility	Soluble in DMSO
Appearance	Pale Beige Solid
Storage	Store at -20°C under inert atmosphere