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))
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
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Wikipedia Riluzole