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mycophenolate mofetil

Go to external page http://purl.obolibrary.org/obo/CHEBI_8764

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.

Term info

Label

mycophenolate mofetil

Synonyms
  • 2-(morpholin-4-yl)ethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate
database cross reference
Subsets

3_STAR

IUPAC NAME
2-(morpholin-4-yl)ethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate [ IUPAC ]

BRAND NAME
Cellcept [ KEGG_DRUG ]

charge

0

formula

C23H31NO7

has obo namespace

chebi_ontology

has related synonym

MMF, Cellcept, RS 61443, 2-morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoate, mycophenolic acid morpholinoethyl ester

id

CHEBI:8764

inchi

InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+

inchikey

RTGDFNSFWBGLEC-SYZQJQIISA-N

mass

433.49470

monoisotopicmass

433.21005

smiles

COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)OCCN1CCOCC1