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
SMILES
COC1=C(C\C=C(/C)CCC(=O)OCCN2CCOCC2)C(O)=C2C(=O)OCC2=C1C
Compound class
Immunosuppressive Agents; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C8 Inducers; CYP3A4 Inhibitors;
Therapeutic area
For the prophylaxis of organ rejection in patients receiving allogeneic renal, cardiac or hepatic transplants. Mycophenolate mofetil should be used concomitantly with cyclosporine and corticosteroids.
Common name
Mycophenolate mofetil
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
SMILES
COC1=C(C\C=C(/C)CCC(=O)OCCN2CCOCC2)C(O)=C2C(=O)OCC2=C1C
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+
FORMULA
C23H31NO7
Common name
Mycophenolate mofetil
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
Molecular weight
433.495
clogP
4.380
clogS
-4.786
HBond Acceptor
8
HBond Donor
1
Total Polar
Surface Area
94.53
Number of Rings
3
Rotatable Bond
10
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00022 | prop-1-ene |
|
CC=C | 0.0299 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00101 | methyl acetate |
|
O(C(=O)C)C | 0.0151 |
| FDBF00102 | methyl propanoate |
|
C(C)C(=O)OC | 0.0096 |
| FDBF00105 | methyl formate |
|
O(C=O)C | 0.0323 |
| FDBF00190 | ethyl propanoate |
|
C(C)C(=O)OCC | 0.0086 |
| FDBF00484 | morpholine |
|
O1CCNCC1 | 0.0082 |
| FDBF01486 | 2-methylbut-2-ene |
|
C(=C(C)C)C | 0.0034 |
| FDBF01602 | (E)-3-methylpent-2-ene |
|
CC=C(C)CC | 0.0014 |
| FDBF01603 | 7-hydroxy-4-methyl-3H-isobenzofuran-1-one |
|
O1Cc2c(c(ccc2C)O)C1=O | 0.0007 |
