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

Modify Date: 2024-01-02 13:30:44

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 Structure
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 structure
Common 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
CAS Number 52995-65-0 Molecular Weight 573.65400
Density N/A Boiling Point N/A
Molecular Formula C21H17BrCl3N5O3 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 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
Synonym More Synonyms

 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

 Synonyms

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