1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylacetate,sulfuric acid,dihydrate

Names

[ CAS No. ]:
63716-96-1

[ Name ]:
1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylacetate,sulfuric acid,dihydrate

Chemical & Physical Properties

[ Boiling Point ]:
442.2ºC at 760 mmHg

[ Molecular Formula ]:
C42H52N2O10S

[ Molecular Weight ]:
776.93500

[ Flash Point ]:
145.9ºC

[ Exact Mass ]:
776.33400

[ PSA ]:
160.52000

[ LogP ]:
7.08700

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VD6550000
CAS REGISTRY NUMBER :
63716-96-1
LAST UPDATED :
199009
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C42-H46-N2-O4.H2-O4-S.2H2-O
MOLECULAR WEIGHT :
777.02
WISWESSER LINE NOTATION :
T66 A B CNTJ AOVYR&R 2 &WSQQ &QH 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
159 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 104,284,1952
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
28 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 104,284,1952
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 104,291,1952

Related Compounds

  • [1-(5-Bromo-3-nitropyridin-2-yl)cyclobutyl]methanamine
  • Benzyl 1-ethenyl-2-azabicyclo[3.1.1]heptane-2-carboxylate
  • 3-[(1-methyl-1H-1,2,3-triazol-5-yl)methyl]piperidin-3-ol
  • tert-butyl N-[3-amino-2-(1H-indol-5-yl)propyl]carbamate
  • tert-butyl N-(3-chloro-4-isocyanatophenyl)carbamate
  • tert-butyl N-[2-amino-1-(2-bromo-3-hydroxyphenyl)ethyl]carbamate
  • [1-(2,3-dihydro-1H-inden-1-yl)-2,2-dimethylcyclopropyl]methanol
  • 3-{[5-Fluoro-2-(trifluoromethyl)phenyl]methyl}pyrrolidine
  • Methyl 2-(4-chloro-3-nitrophenyl)-2-hydroxyacetate
  • 2-(Azetidin-3-yl)-5-bromo-3-nitropyridine
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