4-[3-(2-bromoethyl)-2-methyl-4-nitro-imidazol-1-yl]-9-chloro-6-(2-chlorophenyl)-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one

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Names

[ Name ]:
4-[3-(2-bromoethyl)-2-methyl-4-nitro-imidazol-1-yl]-9-chloro-6-(2-chlorophenyl)-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-3-one

[Synonym ]:
1H-Imidazolium,1-(2-bromoethyl)-3-(7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl)-2-methyl-5-nitro-,chloride
3-[3-(2-bromoethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one chloride

Chemical & Physical Properties

[ Molecular Formula ]:
C₂₁H₁₇BrCl₃N₅O₃

[ Molecular Weight ]:
573.65400

[ Exact Mass ]:
570.95800

[ PSA ]:
96.09000

[ LogP ]:
1.78300

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NJ5030000

CHEMICAL NAME :: 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-5-(2-chlorophenyl)-2,3-d ihydro-2-oxo-1H-1,4- benzodiazepin-3-yl)-2-methyl-5-nitro-, chloride

CAS REGISTRY NUMBER :: 52995-65-0

LAST UPDATED :: 198906

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C21-H17-Br-Cl2-N5-O3.Cl

MOLECULAR WEIGHT :: 573.69

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 2600 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 17,766,1974