| 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 |
![Mycophenolic Acid beta-D-Glucuronide-[d3]](/isotope.v1/images/structure-default.jpg)
