Fiacitabine hydrochlorideProduct ingredient for Fiacitabine
- Name
- Fiacitabine hydrochloride
- Drug Entry
- Fiacitabine
Fiacitabine has been used in trials studying the treatment of HIV Infections and Cytomegalovirus Infections.
- Accession Number
- DBSALT002927
- Structure
Structure for Fiacitabine hydrochloride (DBSALT002927)
- Synonyms
- Fiacitabine HCl
- UNII
- Not Available
- CAS Number
- Not Available
- Weight
- Average: 407.56
Monoisotopic: 406.95451 - Chemical Formula
- C9H12ClFIN3O4
- InChI Key
- VBRDOEHQBZKSQD-MFHVBSIWSA-N
- InChI
- InChI=1S/C9H11FIN3O4.ClH/c10-5-6(16)4(2-15)18-8(5)14-1-3(11)7(12)13-9(14)17;/h1,4-6,8,15-16H,2H2,(H2,12,13,17);1H/t4-,5+,6-,8-;/m1./s1
- IUPAC Name
- 4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-1,2-dihydropyrimidin-2-one hydrochloride
- SMILES
- Cl.NC1=NC(=O)N(C=C1I)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
- External Links
- ChemSpider
- 34228821
- ChEMBL
- CHEMBL3228488
- Predicted Properties
Property Value Source Water Solubility 5.51 mg/mL ALOGPS logP -0.17 ALOGPS logP -0.92 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 12.72 Chemaxon pKa (Strongest Basic) 2.57 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 108.38 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 66.2 m3·mol-1 Chemaxon Polarizability 26.87 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