Fialuridine I-124
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(124I)iodopyrimidine-2,4-dione
Molecular Identity
Fialuridine I-124
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(124I)iodopyrimidine-2,4-dione
PubChem CID: 656409
2D Structure
Properties
C9H10FIN2O5
Molecular Formula
369.09
Molecular Weight
g/mol
368.9636
Exact Mass
Da
-0.9
XLogP
Drug-like (Lipinski: < 5)
99.1
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
418
Complexity
SMILES
Canonical SMILES
SMILES: C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)F)IIsomeric SMILES
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)[124I]Synonyms(15)
Fialuridine I-124124I-FIAU124I-Labeled FIAU(124I)FIAUUNII-726X882183183293-72-3726X8821832,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)-5-(iodo-(sup 124)i)-[124I]FIAUSCHEMBL30178161DTXSID00171406Q272660402'-Fluoro-2'-deoxy-5'-[124I]iodo-1 -D-arabinofuranosyluracil1-(2-Deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-(~124~I)iodopyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-PYRIMIDINEDIONE, 1-(2-DEOXY-2-FLUORO-.BETA.-D-ARABINOFURANOSYL)-5-(IODO-(SUP 124)I)-
Data from PubChem (NCBI)
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