Organofluorine / Alfa Chemistry
Riluzole

Riluzole

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Riluzole

Description: Riluzole is a drug used to treat amyotrophic lateral sclerosis. It delays the onset of ventilator-dependence or tracheostomy in selected patients and may increase survival by approximately two to three months.

Catalog OFC1744225-2
CAS 1744-22-5
Category Fluorinated APIs
Synonyms 2-Amino-6-(trifluoromethoxy)benzothiazole
Purity >98%
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
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
Isomeric SMILES C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)N
Molecular Formula C8H5F3N2OS
Molecular Weight 234.2
Appearance White to off-white solid powder
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 1
Exact Mass 234.00746845 g/mol
Monoisotopic Mass 234.00746845 g/mol
Topological Polar Surface Area 76.4Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 238

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