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Product Code
TRC-M831525
CAS Number
Product Format
Neat
Molecular Formula
C23 H28 O12
Molecular Weight
496.46
API Family
Mycophenolic SodiumProduct Categories
Product Type
MetabolitePurity
>95% (HPLC)
Drug Type
Immunosuppressants
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Analyte Name
Mycophenolic acid acyl-beta-D-glucuronide
CAS Number
99043-04-6
Molecular Formula
C23 H28 O12
Molecular Weight
496.46
Accurate Mass
496.1581
SMILES
COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=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+/t16-,17-,18+,20-,23+/m0/s1
IUPAC
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxyoxane-2-carboxylic acid
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
API Family
Purity
>95% (HPLC)
A metabolite of Mycophenolic Acid.
References: Shipkova, M., et al.: Therap. Drug Monit., 24, 390 (2002), Picard, N., et al.: Drug Metab. Dispos., 33, 139 (2005),
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