115007-34-6
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Color/Form | White to off-white crystalline powder |
Boiling Point | 637.6±55.0 |
Melting Point | 93-94 |
Solubility | 43 μg/mL |
LogP | 2.5 |
Dissociation Constants | 5.6 for the morpholino group and 8.5 for the phenolic group |
Collision Cross Section | 197.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
COMPUTED DESCRIPTORS
Molecular Weight | 433.5 g/mol |
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XLogP3 | 3.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 10 |
Exact Mass | 433.21005233 g/mol |
Monoisotopic Mass | 433.21005233 g/mol |
Topological Polar Surface Area | 94.5 Ų |
Heavy Atom Count | 31 |
Formal Charge | 0 |
Complexity | 646 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
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 immunosuppressive agent, a prodrug, an EC 1.1.1.205 (IMP dehydrogenase) inhibitor and an anticoronaviral agent. It is a gamma-lactone, a member of phenols, an ether, a carboxylic ester and a tertiary amino compound. It is functionally related to a mycophenolic acid and a 2-(morpholin-4-yl)ethanol.