Taribavirin hydrochlorideProduct ingredient for Taribavirin

Name
Taribavirin hydrochloride
Drug Entry
Taribavirin
Accession Number
DBSALT002011
Structure
Thumb
Synonyms
Not Available
UNII
D22JZE246P
CAS Number
40372-00-7
Weight
Average: 279.68
Monoisotopic: 279.0734317
Chemical Formula
C8H14ClN5O4
InChI Key
PIGYMBULXKLTCJ-UHSSARMYSA-N
InChI
InChI=1S/C8H13N5O4.ClH/c9-6(10)7-11-2-13(12-7)8-5(16)4(15)3(1-14)17-8;/h2-5,8,14-16H,1H2,(H3,9,10);1H/t3-,4-,5-,8-;/m1./s1
IUPAC Name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-3-carboximidamide hydrochloride
SMILES
Cl.NC(=N)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
External Links
ChemSpider
397668
ChEMBL
CHEMBL2107375
Wikipedia
Taribavirin
Predicted Properties
PropertyValueSource
Water Solubility11.2 mg/mLALOGPS
logP-2ALOGPS
logP-2.5ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)12.42ChemAxon
pKa (Strongest Basic)5.34ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area150.5 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity77.17 m3·mol-1ChemAxon
Polarizability22.62 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon