(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

  • N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-6-ethoxypyrimidine-4-carboxamide
  • 6-ethoxy-N-(quinolin-8-yl)pyrimidine-4-carboxamide
  • 6-ethoxy-N-(4-methylbenzo[d]thiazol-2-yl)pyrimidine-4-carboxamide
  • 6-ethoxy-N-(2-(3-(4-fluorophenyl)-6-oxopyridazin-1(6H)-yl)ethyl)pyrimidine-4-carboxamide
  • N-(2-(4-(cyclopropanecarboxamido)benzamido)ethyl)-6-ethoxypyrimidine-4-carboxamide
  • 6-ethoxy-N-(4,5,6,7-tetrahydrobenzo[c]isoxazol-3-yl)pyrimidine-4-carboxamide
  • 6-ethoxy-N-(3-hydroxypyridin-2-yl)pyrimidine-4-carboxamide
  • N-[3-(difluoromethoxy)phenyl]-6-ethoxypyrimidine-4-carboxamide
  • 6-ethoxy-N-(4-(pyridin-2-yl)thiazol-2-yl)pyrimidine-4-carboxamide
  • N-(1,1-dioxidotetrahydrothiophen-3-yl)-6-ethoxypyrimidine-4-carboxamide
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