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Mycophenolic Acid beta-D-Glucuronide-[d3]

General Information
Catalog: BLP-006043
Molecular Formula: C23H25D3O12
Molecular Weight: 499.48
Chemical Structure
Mycophenolic Acid beta-D-Glucuronide-[d3]
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

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