riluzole   Click here for help

GtoPdb Ligand ID: 2326

Synonyms: Rilutek® | RP-54274 | Tiglutik® (thickened oral suspension)
Approved drug PDB Ligand
riluzole is an approved drug (FDA (1995), EMA (1996))
Compound class: Synthetic organic
Comment: Marketed formulations may contain riluzole hydrochloride (PubChem CID 6419992).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 76.38
Molecular weight 234.01
XLogP 2.28
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Nc1nc2c(s1)cc(cc2)OC(F)(F)F
Isomeric SMILES Nc1nc2c(s1)cc(cc2)OC(F)(F)F
InChI InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)
InChI Key FTALBRSUTCGOEG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1995), EMA (1996))
Prodrug troriluzole
IUPAC Name Click here for help
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
International Nonproprietary Names Click here for help
INN number INN
5912 riluzole
Synonyms Click here for help
Rilutek® | RP-54274 | Tiglutik® (thickened oral suspension)
Database Links Click here for help
BindingDB Ligand 30705
CAS Registry No. 1744-22-5
ChEBI CHEBI:8863
ChEMBL Ligand CHEMBL744
DrugBank Ligand DB00740
DrugCentral Ligand 2382
GtoPdb PubChem SID 135650900
PubChem CID 5070
RCSB PDB Ligand 657, 657
Search Google for chemical match using the InChIKey FTALBRSUTCGOEG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FTALBRSUTCGOEG
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UniChem Compound Search for chemical match using the InChIKey FTALBRSUTCGOEG-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FTALBRSUTCGOEG-UHFFFAOYSA-N
Wikipedia Riluzole