Riluzole HydrochlorideProduct ingredient for Riluzole

Name
Riluzole Hydrochloride
Drug Entry
Riluzole

A glutamate antagonist (receptors, glutamate) used as an anticonvulsant (anticonvulsants) and to prolong the survival of patients with amyotrophic lateral sclerosis. Riluzole is marketed as Rilutek by Sanofi.

Accession Number
DBSALT000679
Structure
Synonyms
Riluzole HCl
UNII
Not Available
CAS Number
Not Available
Weight
Average: 270.659
Monoisotopic: 269.984145836
Chemical Formula
C8H6ClF3N2OS
InChI Key
QEAOELIJQRYJJS-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3N2OS.ClH/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5;/h1-3H,(H2,12,13);1H
IUPAC Name
6-(trifluoromethoxy)-2,3-dihydro-1,3-benzothiazol-2-imine hydrochloride
SMILES
Cl.FC(F)(F)OC1=CC2=C(NC(=N)S2)C=C1
PubChem Compound
6419992
ChemSpider
4925582
ChEBI
1055701
ChEMBL
CHEMBL1531817
Predicted Properties
PropertyValueSource
Water Solubility0.196 mg/mLALOGPS
logP2.7ALOGPS
logP3.43Chemaxon
logS-3.1ALOGPS
pKa (Strongest Basic)9.56Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area45.11 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity58.25 m3·mol-1Chemaxon
Polarizability18.48 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon