Mycophenolate mofetil

C23H31NO7CAS 115007-34-6433.50 g/mol

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AlkeneEsterEtherLactonePhenolTertiary amine

Properties

Molecular formula
C23H31NO7
Molar mass
433.50 g/mol
Exact mass
433.2101 Da
logP
2.52Crippen estimate
Polar surface area
94.5 Ų
H-bond donors / acceptors
1 / 8
Rotatable bonds
9

Identifiers

CAS number
115007-34-6
SMILES
COc1c(C)c2c(c(O)c1C/C=C(C)CCC(=O)OCCN1CCOCC1)C(=O)OC2
InChIKey
RTGDFNSFWBGLEC-SYZQJQIISA-N
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+

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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

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Elsewhere