Mycophenolate mofetil
Properties
- Molecular formula
- C23H31NO7
- Molar mass
- 433.50 g/mol
- Exact mass
- 433.2101 Da
- Melting point
- 93–94 °C
- pKa
- 5.6 (tertiary amine), 8.5 (phenol)
- Water solubility
- 43 mg/L
- logP
- 2.52Crippen estimate
- Polar surface area
- 94.5 Ų
- H-bond donors / acceptors
- 1 / 8
- Rotatable bonds
- 9
Hazards
Danger
- H302 Harmful if swallowed98.1% of notifiers
- H341 Suspected of causing genetic defects13% of notifiers
- H360 May damage fertility or the unborn child22.2% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure13% of notifiers
- H400 Very toxic to aquatic life88.9% of notifiers
- H410 Very toxic to aquatic life with long lasting effects16.7% of notifiers
Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, P501
Identifiers
CAS number
128794-94-5SMILES
COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)OCCN1CCOCC1)C(=O)OC2InChIKey
RTGDFNSFWBGLEC-SYZQJQIISA-NInChI
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+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl ester, (4E)-
- 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, 2-(4-morpholinyl)ethyl ester, (E)-
- RS 61443
- TM-MMF
- 2-Morpholinoethyl (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoate
- Linfonex
- Myfenax
- Mofetil mycophenolate
- Suprimun
- Micoflavin
- Myclausen
Work with Mycophenolate mofetil
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Tanimoto similarity of circular fingerprints over the whole catalogue.