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Product Name: 1H-Imidazolium,3-(2-bromoethyl)-1-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-4-nitro-,chloride (1:1)
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52995-64-9

52995-64-9 structure

52995-64-9 structure

Name: 1H-Imidazolium,3-(2-bromoethyl)-1-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-4-nitro-,chloride (1:1)
Chemical Name: 3-[3-(2-bromoethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one,chloride
CAS Number: 52995-64-9
Molecular Formula: C₂₁H₁₈BrCl₂N₅O₃
Molecular Weight: 539.20900
Create Date: 2016-04-16 09:29:25
Modify Date: 2025-09-25 20:05:45

Name	3-[3-(2-bromoethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one,chloride

Molecular Formula	C₂₁H₁₈BrCl₂N₅O₃
Molecular Weight	539.20900
Exact Mass	536.99700
PSA	96.09000
LogP	1.12960

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NJ5032000

CHEMICAL NAME :: 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phen yl-1H-1,4-benzodiazep in- 3-yl)-2-methyl-5-nitro-, chloride

CAS REGISTRY NUMBER :: 52995-64-9

LAST UPDATED :: 199012

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C21-H18-Br-Cl-N5-O3.Cl

MOLECULAR WEIGHT :: 539.25

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 :: 2900 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

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