loading...| Preferred Name |
mycophenolate mofetil |
|
| Synonyms |
2-morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoate mycophenolic acid morpholinoethyl ester Cellcept MMF RS 61443 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 |
|
| Definitions |
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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_8764 |
|
| alternative label |
2-morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoate mycophenolic acid morpholinoethyl ester Cellcept MMF RS 61443 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 |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:1859 PMID:22560143 PMID:21180633 CAS:128794-94-5 PMID:22294686 PMID:22310598 PMID:8826401 PMID:22081165 PMID:16979992 PMID:15572389 PMID:22417996 PMID:21710356 PMID:22460418 PMID:15992049 Wikipedia:Mycophenolate_mofetil PMID:19858585 PMID:11490743 Reaxys:7500599 KEGG:D00752 PMID:11099793 DrugBank:DB00688 PMID:9274835 KEGG:C07908 HMDB:HMDB0014826 |
|
| definition |
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. |
|
| formula |
C23H31NO7 |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35705 http://purl.obolibrary.org/obo/CHEBI_149553 |
|
| has_exact_synonym |
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 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
2-morpholinoethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoate mycophenolic acid morpholinoethyl ester Cellcept MMF RS 61443 |
|
| has_RxCUI |
68149 |
|
| id |
CHEBI:8764 |
|
| in_subset | ||
| 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 |
|
| label |
mycophenolate mofetil |
|
| mass |
433.49470 |
|
| monoisotopicmass |
433.21005 |
|
| notation |
CHEBI:8764 |
|
| prefLabel |
mycophenolate mofetil |
|
| smiles |
COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)OCCN1CCOCC1 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_33853 http://purl.obolibrary.org/obo/CHEBI_25698 |