Riluzole

Suppliers

Names

[ CAS No. ]:
1744-22-5

[ Name ]:
Riluzole

[Synonym ]:
MFCD00210213
2-Benzothiazolamine, 6-(trifluoromethoxy)-
2-Amino-6-(trifluoromethoxy)benzothiazole
6-(Trifluoromethoxy)-1,3-benzothiazol-2-amine
Riluzole
2-Amino-6-trifluoro methoxy benzothiazole
2-Amino-6-trifluoromethoxybenzothiazole
6-(Trifluoromethoxy)-2-benzothiazolamine
Rilutek
6-(Trifluoromethoxy)benzo[d]thiazol-2-amine

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
296.3±50.0 °C at 760 mmHg

[ Melting Point ]:
116-118ºC

[ Molecular Formula ]:
C8H5F3N2OS

[ Molecular Weight ]:
234.198

[ Flash Point ]:
133.0±30.1 °C

[ Exact Mass ]:
234.007462

[ PSA ]:
76.38000

[ LogP ]:
2.84

[ Vapour Pressure ]:
0.0±0.6 mmHg at 25°C

[ Index of Refraction ]:
1.615

[ Storage condition ]:
Store at RT

[ Water Solubility ]:
DMSO: ≥25 mg/mL

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL2830000
CHEMICAL NAME :
Benzothiazole, 2-amino-6-trifluoromethoxy-
CAS REGISTRY NUMBER :
1744-22-5
LAST UPDATED :
199707
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H5-F3-N-O-S
MOLECULAR WEIGHT :
220.20

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
67 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #50551
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
46 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #50551

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H301

[ Precautionary Statements ]:
P301 + P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
T:Toxic;

[ Risk Phrases ]:
R25

[ Safety Phrases ]:
S45

[ RIDADR ]:
UN 2811

[ WGK Germany ]:
3

[ RTECS ]:
DL2830000

[ Packaging Group ]:
II

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-(Trifluoromethoxy)aniline
  • Potassium thiocyanate
  • N,N,N-Tributyl-1-butanaminium thiocyanate
  • 2-amino-4-nitro-6-trifluoromethoxy-benzothiazole
  • 2-amino-5-nitro-6-trifluoromethoxy-benzothiazole
  • 2-HYDRAZONO-6-(TRIFLUOROMETHOXY)-2,3-DIHYDROBENZO[D]THIAZOLE

DownStream

  • 2-CHLORO-6-(TRIFLUOROMETHOXY)-BENZOTHIAZOLE
  • 2-HYDRAZONO-6-(TRIFLUOROMETHOXY)-2,3-DIHYDROBENZO[D]THIAZOLE

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles

Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.

Chem. Res. Toxicol. 23 , 171-83, (2010)

Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental...

Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

J. Sci. Ind. Res. 65(10) , 808, (2006)

Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...

Developing structure-activity relationships for the prediction of hepatotoxicity.

Chem. Res. Toxicol. 23 , 1215-22, (2010)

Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ...


More Articles

Related Compounds

  • Riluzole HCl
  • Riluzole-13C,15N2
  • N-Hydroxy Riluzole
  • N-Hydroxy Riluzole
  • Riluzole 4-Bromo Impurity
  • RILUZOLE-N-METHYL ANALOGUE
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