| CAS Number | 32483-51-5 |
| Catalog Number | AG01E6EW(AGN-PC-0R7RL7) |
| Chemical Name | Ethyl Mycophenolate |
| IUPAC Name | ethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate |
| InChI | InChI=1S/C19H24O6/c1-5-24-15(20)9-7-11(2)6-8-13-17(21)16-14(10-25-19(16)22)12(3)18(13)23-4/h6,21H,5,7-10H2,1-4H3/b11-6+ |
| InChI Key | CUWYKVMNNGRAOW-IZZDOVSWSA-N |
| MDL Number | MFCD29079197 |
| Molecular Formula | C19H24O6 |
| Molecular Weight | 348.3903 |
| SMILES | CC1=C2C(C(OC2)=O)=C(C(C/C=C(C)/CCC(OCC)=O)=C1OC)O |
| Synonyms | Ethyl Mycophenolate,
Mycophenolic acid ethyl ester,
SCHEMBL18538602,
32483-51-5,
ethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate,
CID10904178,
Ethyl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-hex-4-enoate,
|
| Complexity | 514 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 348.157g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.395g/mol |
| Monoisotopic Mass | 348.157g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 82.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number