Mycophenolate sodiumProduct ingredient for Mycophenolic acid

Name
Mycophenolate sodium
Drug Entry
Mycophenolic acid

Mycophenolic acid is an an immunosuppresant drug and potent anti-proliferative, and can be used in place of the older anti-proliferative azathioprine. It is usually used as part of triple therapy including a calcineurin inhibitor (ciclosporin or tacrolimus) and prednisolone. It is also useful in research for the selection of animal cells that express the E. coli gene coding for XGPRT (xanthine guanine phosphoribosyltransferase).

Accession Number
DBSALT001740
Structure
Thumb
Synonyms
Not Available
UNII
WX877SQI1G
CAS Number
37415-62-6
Weight
Average: 342.323
Monoisotopic: 342.10793261
Chemical Formula
C17H19NaO6
InChI Key
DOZYTHNHLLSNIK-JOKMOOFLSA-M
InChI
InChI=1S/C17H20O6.Na/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3;/h4,20H,5-8H2,1-3H3,(H,18,19);/q;+1/p-1/b9-4+;
IUPAC Name
sodium (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoate
SMILES
[Na+].COC1=C(C\C=C(/C)CCC([O-])=O)C(O)=C2C(=O)OCC2=C1C
External Links
ChemSpider
4938872
ChEBI
67155
ChEMBL
CHEMBL2106643
Predicted Properties
PropertyValueSource
Water Solubility0.0571 mg/mLALOGPS
logP2.7ALOGPS
logP3.53ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)3.57ChemAxon
pKa (Strongest Basic)-4.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area95.89 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity96.07 m3·mol-1ChemAxon
Polarizability32.42 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon