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Mycophenolic acid

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For Research Use Only | Not For Clinical Use
CATAPS24280931
CAS24280-93-1
Structure
MDL NumberMFCD00036814
SynonymsMycophenolic Acid, Mycophenolate Mofetil Imp. F (EP),(4E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic Acid
IUPAC Name(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
Molecular Weight320.34
Molecular FormulaC17H20O6
EC Number246-119-3
Canonical SMILESCOc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)O
InChIInChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+
InChI KeyHPNSFSBZBAHARI-RUDMXATFSA-N
REAXYS Number1295848
Accurate Mass320.126
FormatNeat
SubcategoryPharmaceutical and veterinary compounds and metabolites
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