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Mycophenolic Acid beta-D-Glucuronide-[d3]

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General Information
Catalog: BLP-006043
Molecular Formula: C23H25D3O12
Molecular Weight: 499.48

Chemical Structure

Description	Mycophenolic Acid beta-D-Glucuronide-[d3] is the labelled analogue of Mycophenolic Acid beta-D-Glucuronide, which is an impurity of Mycophenolate Mofetil. Mycophenolate Mofetil is used as an immunosuppressive agent, and as an inducer of monocyte differentiation and apoptosis in human lymphoid and monocytic cell lines.
Synonyms	Mycophenolic Acid-d3 beta-D-Glucuronide; 5-[(2E)-5-Carboxy-3-methyl-2-penten-1-yl]-1,3-dihydro-6-(methoxy-d3)-7-methyl-3-oxo-4-isobenzofuranyl β-D-Glucopyranosiduronic Acid; Mycophenolic Acid-d3 Glucosiduronate; Mycophenolic Acid-d3 Glucuronide
IUPAC Name	(2S,3S,4S,5R,6S)-6-[[5-[(E)-5-carboxy-3-methylpent-2-enyl]-7-methyl-3-oxo-6-(trideuteriomethoxy)-1H-2-benzofuran-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CAS	31528-44-6 (unlabelled)
Canonical SMILES	CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)O)OC3C(C(C(C(O3)C(=O)O)O)O)O
InChI	InChI=1S/C23H28O12/c1-9(5-7-13(24)25)4-6-11-18(32-3)10(2)12-8-33-22(31)14(12)19(11)34-23-17(28)15(26)16(27)20(35-23)21(29)30/h4,15-17,20,23,26-28H,5-8H2,1-3H3,(H,24,25)(H,29,30)/b9-4+/t15-,16-,17+,20-,23+/m0/s1/i3D3
InChI Key	BYFGTSAYQQIUCN-FPXLKDJASA-N
Melting Point	>160°C (dec.)
Purity	95%; ≥99% atom D
Solubility	Slightly soluble in Methanol, Water (Heated)
Appearance	Off-white to Pale Beige Solid
Storage	Store at-20°C under inert atmosphere