Tezacitabine
4-amino-1-[(2R,3E,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Molecular Identity
Tezacitabine
4-amino-1-[(2R,3E,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID: 6435808
Tezacitabine is a hydroxypyrimidine.
2D Structure
Properties
C10H12FN3O4
Molecular Formula
257.22
Molecular Weight
g/mol
257.0812
Exact Mass
Da
-2.3
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
448
Complexity
SMILES
Canonical SMILES
SMILES: C1=CN(C(=O)N=C1N)C2C(=CF)C(C(O2)CO)OIsomeric SMILES
SMILES: C1=CN(C(=O)N=C1N)[C@H]2/C(=C/F)/[C@@H]([C@H](O2)CO)OSynonyms(20)
TezacitabineMDL-1017312'-Deoxy-2'-(fluoromethylene)cytidinetezacitabinaDTXSID10156446Cytidine, 2'-deoxy-2'-(fluoromethylene)-, (2E)-171176-43-5DTXSID001690204-amino-1-[(2R,3E,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-onetezacitabinum4-amino-1-((2R,3E,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)-1,2-dihydropyrimidin-2-oneMDL-101,731RefChem:188974DTXCID5091511DTXCID7078937
Data from PubChem (NCBI)
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