Mycophenolate
(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Molecular Identity
Mycophenolate
(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
PubChem CID: 6918995
Mycophenolate is a monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid. It is a conjugate base of a mycophenolic acid.
2D Structure
Properties
C17H19O6-
Molecular Formula
319.30
Molecular Weight
g/mol
319.1182
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
95.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
480
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)[O-])OIsomeric SMILES
SMILES: CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)[O-])OSynonyms(7)
CHEBI:62932(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoateMYCOPHENOLATE [VANDF]RefChem:819686MYCOPHENOLATE(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoateQ27132295
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Mycophenolate
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