Mericitabine
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
Molecular Identity
Mericitabine
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-4-methyl-3-(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
PubChem CID: 16122663
2D Structure
Properties
C18H26FN3O6
Molecular Formula
399.40
Molecular Weight
g/mol
399.1806
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
121
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
707
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(C)F)OC(=O)C(C)CIsomeric SMILES
SMILES: CC(C)C(=O)OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=NC2=O)N)(C)F)OC(=O)C(C)CSynonyms(20)
Mericitabine940908-79-2R-7128RG7128R7128RO-5024048PSI 6130 diisobutyrateR 7128MericitabinaRG 71283',5'-Diisobutyryl PSI 6130RG-71283',5'-DIISOBUTYRYL PSI6130PSI6130 DIISOBUTYRATETA63JX8X52
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Mericitabine
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