2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Names

[ CAS No. ]:
116989-83-4

[ Name ]:
2-[[4-(4-bromophenyl)-5-[(9-chloroindolo[3,2-b]quinoxalin-6-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Chemical & Physical Properties

[ Density]:
1.73g/cm3

[ Boiling Point ]:
785.3ºC at 760mmHg

[ Molecular Formula ]:
C25H16BrClN6O2S

[ Molecular Weight ]:
579.85600

[ Flash Point ]:
428.7ºC

[ Exact Mass ]:
577.99300

[ PSA ]:
124.02000

[ LogP ]:
5.95930

[ Vapour Pressure ]:
5.6E-26mmHg at 25°C

[ Index of Refraction ]:
1.808

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AF6327000
CHEMICAL NAME :
Acetic acid, ((1-(4-bromophenyl)-5-((9-chloro-6H-indolo(2,3-b)quin oxalin-6-yl)methyl)-1 H- 1,3,4-triazol-2-yl)thio)-
CAS REGISTRY NUMBER :
116989-83-4
LAST UPDATED :
199103
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C25-H16-Br-Cl-N6-O2-S
MOLECULAR WEIGHT :
579.89

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
316 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Behavioral - somnolence (general depressed activity)
REFERENCE :
APJUA8 Acta Pharmaceutica Jugoslavica. (FDH, Masarykova 2, 41000 Zagreb, Yugoslavia) V.1-41, 1951-1991. Volume(issue)/page/year: 38,11,1988

Related Compounds

  • 7-(3-fluorophenyl)-1-methyl-1H-pyrazolo[4,3-c]pyridine
  • 2-{[(5-Butylpyridin-3-yl)sulfanyl]methyl}-1,4,5,6-tetrahydropyrimidine
  • (2S)-2-(2,6-dimethylphenyl)oxirane
  • 3-[6-(Dimethylamino)pyridin-3-yl]propanenitrile
  • O-[2-(4-methoxypyridin-2-yl)propyl]hydroxylamine
  • 3-Hydroxy-3-(2-methylfuran-3-yl)propanoic acid
  • 3-(3-Bromo-2,2-dimethylpropyl)-1,2-oxazole
  • trans-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]cyclobutan-1-ol
  • 2-[3-methyl-5-(piperidin-3-yl)-4H-1,2,4-triazol-4-yl]ethan-1-ol
  • 3-(4-(3-Methoxypropyl)-5-methyl-4H-1,2,4-triazol-3-yl)piperidine
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