(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)prop-2-enoate,chloride

Names

[ CAS No. ]:
64048-71-1

[ Name ]:
(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)prop-2-enoate,chloride

[Synonym ]:
ATROPIC ACID,4'-BROMO-,3-TROPANYL ESTER,HYDROCHLORIDE
3-Tropanyl 4'-bromoatropate hydrochloride
(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(4-bromophenyl)prop-2-enoate chloride
4'-Bromoatropic acid,3-tropanyl ester,hydrochloride

Chemical & Physical Properties

[ Boiling Point ]:
435.2ºC at 760mmHg

[ Molecular Formula ]:
C17H21BrClNO2

[ Molecular Weight ]:
386.71100

[ Flash Point ]:
217ºC

[ Exact Mass ]:
385.04400

[ PSA ]:
29.54000

[ LogP ]:
4.37060

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CK0050000
CHEMICAL NAME :
Atropic acid, 4'-bromo-, 3-tropanyl ester, hydrochloride
CAS REGISTRY NUMBER :
64048-71-1
LAST UPDATED :
199107
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H20-Br-N-O2.Cl-H
MOLECULAR WEIGHT :
386.75
WISWESSER LINE NOTATION :
T56 A ANTJ A1 GOVYU1&R DE &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
384 mg/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: 12,477,1969

Related Compounds

  • 2-((2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
  • N-(4-chloro-2-fluorophenyl)-2-((2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)thio)acetamide
  • 2-({2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(4-fluorophenyl)butanamide
  • 8,9-dimethoxy-2-(2-(2-methyl-1H-benzo[d]imidazol-1-yl)ethyl)-5-((4-nitrobenzyl)thio)-[1,2,4]triazolo[1,5-c]quinazoline
  • 2-({8,9-dimethoxy-2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-1-(4-fluorophenyl)ethan-1-one
  • N-(5-chloro-2-methylphenyl)-2-((8,9-dimethoxy-2-(2-(2-methyl-1H-benzo[d]imidazol-1-yl)ethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)thio)acetamide
  • 2-({8,9-dimethoxy-2-[2-(2-methyl-1H-1,3-benzodiazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2,6-dimethylphenyl)acetamide
  • 2-((8,9-dimethoxy-2-(2-(2-methyl-1H-benzo[d]imidazol-1-yl)ethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)thio)-N-(2-fluorophenyl)acetamide
  • 2-((8,9-dimethoxy-2-(2-(2-methyl-1H-benzo[d]imidazol-1-yl)ethyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide
  • 4-(((8,9-Dimethoxy-2-(4-nitrophenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)thio)methyl)benzonitrile
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