Mycophenolic Acid Beta-D-Glucuronide
Product Code
TRC-M831520
CAS Number
31528-44-6
Product Format
Neat
Molecular Formula
C23 H28 O12
Molecular Weight
496.46
API Family
Mycophenolic acidProduct Type
MetaboliteAlternate CAS Number
27107-52-4
Drug Type
Immunosuppressants
Documentation
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Product Information
Product Data
Analyte Name
Mycophenolic acid-beta-D-glucuronide
CAS Number
31528-44-6
Molecular Formula
C23 H28 O12
Molecular Weight
496.46
Accurate Mass
496.1581
SMILES
COc1c(C)c2COC(=O)c2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c1C\C=C(/C)\CCC(=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
IUPAC
(2S,3S,4S,5R,6S)-6-[[5-[(E)-5-carboxy-3-methylpent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Alternate CAS Number
27107-52-4
Storage & Transport Information
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Attributes
Product Type
Metabolite
Product Format
Neat
API Family
Mycophenolic acid
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