Tezacitabine monohydrateProduct ingredient for Tezacitabine
- Name
- Tezacitabine monohydrate
- Drug Entry
- Tezacitabine
A synthetic purine nucleoside analogue with potential antineoplastic activity.
- Accession Number
- DBSALT001853
- Structure
- Synonyms
- Tezacitabine
- UNII
- UCC4EQS7WL
- CAS Number
- 171176-43-5
- Weight
- Average: 275.236
Monoisotopic: 275.091748726 - Chemical Formula
- C10H14FN3O5
- InChI Key
- XPYQFIISZQCINN-QVXDJYSKSA-N
- InChI
- InChI=1S/C10H12FN3O4.H2O/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17;/h1-3,6,8-9,15-16H,4H2,(H2,12,13,17);1H2/b5-3+;/t6-,8+,9-;/m1./s1
- IUPAC Name
- 1-[(2R,3E,4S,5R)-3-(fluoromethylidene)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-imino-1,4-dihydropyrimidin-2-ol hydrate
- SMILES
- O.[H]\C(F)=C1\[C@]([H])(O)[C@@]([H])(CO)O[C@@]1([H])N1C=CC(=N)N=C1O
- External Links
- ChemSpider
- 8101179
- ChEMBL
- CHEMBL3989496
- Predicted Properties
Property Value Source Water Solubility 0.437 mg/mL ALOGPS logP -0.93 ALOGPS logP -0.95 Chemaxon logS -2.8 ALOGPS pKa (Strongest Acidic) 5.65 Chemaxon pKa (Strongest Basic) 2.24 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 109.37 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 69.14 m3·mol-1 Chemaxon Polarizability 22.7 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon