(1R,8aS)-1-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine,hydrobromide

Names

[ CAS No. ]:
5583-02-8

[ Name ]:
(1R,8aS)-1-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine,hydrobromide

[Synonym ]:
3H-Oxazolo(3,4-a)pyridine,hexahydro-1-(p-chlorophenyl)-3-imino-,hydrobromide (Z)
cis-1-(p-Chlorophenyl)-3-iminohexahydro-3H-oxazolo(3,4-a)pyridinehydrobromide
(1R,8aS)-1-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide

Chemical & Physical Properties

[ Molecular Formula ]:
C13H16BrClN2O

[ Molecular Weight ]:
331.63600

[ Exact Mass ]:
330.01300

[ PSA ]:
36.32000

[ LogP ]:
4.19630

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RQ5833182
CHEMICAL NAME :
3H-Oxazolo(3,4-a)pyridine, hexahydro-1-(p-chlorophenyl)-3-imino-,hydrobromide (Z)-
CAS REGISTRY NUMBER :
5583-02-8
LAST UPDATED :
199403
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C13-H15-Cl-N2-O.Br-H
MOLECULAR WEIGHT :
331.67
WISWESSER LINE NOTATION :
T56 ANYOTJ BUM DR DG -C &EH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
60 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Behavioral - excitement Vascular - BP elevation not characterized in autonomic section
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 15,111,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
28 mg/kg
TOXIC EFFECTS :
Brain and Coverings - recordings from specific areas of CNS Behavioral - excitement Vascular - BP elevation not characterized in autonomic section
REFERENCE :
EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 15,111,1980

Related Compounds

  • 2-(4-Chloro-2-methoxypyridin-3-yl)-2-methylpropanoic acid
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 3-(Azidomethyl)-5-formyl-2,4,6-trimethylphenyl sulfurofluoridate
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine