Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.
Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.
Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
General Information |
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Catalog: BLP-006043 |
Molecular Formula: C23H25D3O12 |
Molecular Weight: 499.48 |
Chemical Structure |
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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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