1-(2-chloro-4-nitrophenyl)-3-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]thiourea

Names

[ CAS No. ]:
94772-01-7

[ Name ]:
1-(2-chloro-4-nitrophenyl)-3-[[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]thiourea

[Synonym ]:
4-(2-Chloro-4-nitrophenyl)-1-(5-(3,4-dimethoxyphenyl)tetrazol-2-yl-acetyl)thiosemicarbazide
2H-Tetrazole-2-acetic acid,5-(3,4-dimethoxyphenyl)-,2-(((2-chloro-4-nitrophenyl)amino)thioxomethyl)hydrazide

Chemical & Physical Properties

[ Density]:
1.6g/cm3

[ Molecular Formula ]:
C18H17ClN8O5S

[ Molecular Weight ]:
492.89600

[ Exact Mass ]:
492.07300

[ PSA ]:
203.66000

[ LogP ]:
3.91160

[ Index of Refraction ]:
1.716

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XF7463610
CHEMICAL NAME :
2H-Tetrazole-2-acetic acid, 5-(3,4-dimethoxyphenyl)-, 2-(((2-chloro-4-nitrophenyl)amino) thioxomethyl)hydrazide
CAS REGISTRY NUMBER :
94772-01-7
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C18-H17-Cl-N8-O5-S
MOLECULAR WEIGHT :
492.94

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 :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 23,1133,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PHMGBN Pharmacology: International Journal of Experimental and Clinical Pharmacology. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1- 1968- Volume(issue)/page/year: 35,333,1987

Synthetic Route


Related Compounds

  • Methyl 5-azaspiro[2.3]hexane-1-carboxylate hydrochloride
  • 2,2-Difluoro-1-methyl-cyclopropanesulfinic acid
  • 2-Fluorocyclopropanesulfinic acid
  • 1-[2-Iodo-1-(2-methylpropoxy)ethyl]-2-methylbenzene
  • 2-(Iodomethyl)-3,3-dimethyl-2-(2-methylpropoxy)bicyclo[2.2.1]heptane
  • 1-(Iodomethyl)-4-methyl-1-(2-methylpropoxy)cyclohexane
  • 1-Iodo-2-(3-methylbutoxy)cyclopentane
  • 4-(Bromomethyl)-4-[(oxolan-2-yl)methoxy]oxane
  • 1-(Iodomethyl)-1-(2-methoxyethoxy)-4-propylcyclohexane
  • 1-Fluoro-2-[2-iodo-1-(2-methoxyethoxy)ethyl]benzene
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