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Mycophenolic Acid Acyl-β-D-glucuronide-[d3]

General Information
Catalog: BLP-004816
Molecular Formula: C23H25D3O12
Molecular Weight: 499.48
Chemical Structure
Mycophenolic Acid Acyl-β-D-glucuronide-[d3]
Description Mycophenolic Acid Acyl-β-D-glucuronide-[d3] is the labelled analogue of Mycophenolic Acid Acyl-β-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 Acyl-β-D-glucuronide; 1-[(4E)-6-(1,3-Dihydro-4-hydroxy-6-(methoxy-d3)-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-1-oxo-4-hexenoate] β-D-Glucopyranuronic Acid; Mycophenolic acid acyl glucuronide-d3; Mycophenolic acid O-acyl-glucuronide-d3
IUPAC Name 3,4,5-trihydroxy-6-[(E)-6-[4-hydroxy-7-methyl-3-oxo-6-(trideuteriomethoxy)-1H-2-benzofuran-5-yl]-4-methylhex-4-enoyl]oxyoxane-2-carboxylic acid
Related CAS 99043-04-6 (unlabelled)
Canonical SMILES CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O
InChI InChI=1S/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3H3,(H,29,30)/b9-4+/i3D3
InChI Key QBMSTEZXAMABFF-HZIIEIAOSA-N
Purity 95%; ≥99% atom D
Solubility Slightly soluble in Methanol (Heated)
Appearance White to Light Beige Solid
Storage Store at -20°C under inert atmosphere

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