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
[ CAS No. ]:
52995-65-0
[ 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