CAS Registry Number®
24280-93-1
CAS Name
Mycophenolic acid
Molecular Formula
C17H20O6
Molecular Mass
320.34
Compound Properties
-
Melting Point (1)
141 °C
-
Density (2)
1.33 g/cm³
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Harrison, W.; Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), (1972), (11), 1542-4, CAplus
Other Names and Identifiers
InChI
InChI=1S/C17H20O6/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)/b9-4+
InChIKey
InChIKey=HPNSFSBZBAHARI-RUDMXATFSA-N
SMILES
CC1=C2C(=C(O)C(C/C=C(/CCC(O)=O)\C)=C1OC)C(=O)OC2
Canonical SMILES
O=C1OCC2=C1C(O)=C(C(OC)=C2C)CC=C(C)CCC(=O)O
Other Names for this Substance
- 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (4E)-
- 4-Hexenoic acid, 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-, (E)-
- 4-Hexenoic acid, 6-(1,3-dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-, (E)-
- (4E)-6-(1,3-Dihydro-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic acid
- Mycophenolic acid
- NSC 129185
- Lilly 68618
- MPA
- Melbex
- (E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoic acid
- MeSH ID: D009173
