mycophenolate mofetil
2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Molecular Identity
mycophenolate mofetil
2-morpholin-4-ylethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
PubChem CID: 5281078
Mycophenolate mofetil is a carboxylic ester resulting from the formal condensation between the carboxylic acid group of mycophenolic acid and the hydroxy group of 2-(morpholin-4-yl)ethanol. In the liver, it is metabolised to mycophenolic acid, an immunosuppressant for which it is a prodrug. It is widely used to prevent tissue rejection following organ transplants as well as for the treatment of certain autoimmune diseases. It has a role as an anticoronaviral agent, an immunosuppressive agent, a prodrug and an EC 1.1.1.205 (IMP dehydrogenase) inhibitor. It is an ether, a carboxylic ester, a member of phenols, a gamma-lactone and a tertiary amino compound. It is functionally related to a mycophenolic acid and a 2-(morpholin-4-yl)ethanol.
2D Structure
Properties
C23H31NO7
Molecular Formula
433.50
Molecular Weight
g/mol
433.2101
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
94.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
646
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
mycophenolate mofetil128794-94-5115007-34-6MyfenaxRS 61443RS-61443myclausenMycophenylate mofetilMycophenolic acid morpholinoethyl esterMycophenolate mofetil TevaMYHIBBINArzip2-(morpholin-4-yl)ethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoateNSC-724229NSC-758905
Data from PubChem (NCBI)
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Trials and conditions connected to mycophenolate mofetil
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