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

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General Information
Catalog: BLP-004816
Molecular Formula: C23H25D3O12
Molecular Weight: 499.48

Chemical Structure

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