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Raltegravir β-D-Glucuronide-[d3]

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General Information
Catalog: BLP-007897
Molecular Formula: C26H26D3FN6O11
Molecular Weight: 623.56

Chemical Structure

Description	Raltegravir β-D-Glucuronide-[d3] is the labelled analogue of Raltegravir β-D-Glucuronide, which is a metabolite of Raltegravir. Raltegravir is an integrase inhibitor as an antiretroviral drug. It can be used for the treatment of HIV infection.
Synonyms	Raltegravir-d3 β-D-Glucuronide; 4-[[[(4-Fluorophenyl)methyl]amino]carbonyl]-1,6-dihydro-1-methyl-2-[1-methyl-1-[[(5-methyl-1,3,4-oxadiazol-2-yl)carbonyl]amino]ethyl]-6-oxopyrimidin-5-yl-d3 β-D-Glucopyranosiduronic Acid
IUPAC Name	(2R,3R,4R,5S,6R)-6-[4-[(4-fluorophenyl)methylcarbamoyl]-2-[2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl]-6-oxo-1-(trideuteriomethyl)pyrimidin-5-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CAS	952654-62-5 (unlabelled)
Canonical SMILES	CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)OC3C(C(C(C(O3)C(=O)O)O)O)O)C(=O)NCC4=CC=C(C=C4)F
InChI	InChI=1S/C26H29FN6O11/c1-10-31-32-21(42-10)20(38)30-26(2,3)25-29-13(19(37)28-9-11-5-7-12(27)8-6-11)17(22(39)33(25)4)43-24-16(36)14(34)15(35)18(44-24)23(40)41/h5-8,14-16,18,24,34-36H,9H2,1-4H3,(H,28,37)(H,30,38)(H,40,41)/t14-,15-,16+,18-,24+/m1/s1/i4D3
InChI Key	DNIJULFVNPGGMF-SFIPPOAQSA-N
Melting Point	142-144°C
Purity	≥94%; ≥95% atom D
Solubility	Slightly soluble in Methanol
Appearance	White Solid
Storage	Store at -20°C under inert atmosphere