5583-02-8

5583-02-8 structure

5583-02-8 structure

Name: (1R,8aS)-1-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine,hydrobromide
Chemical Name: (1R,8aS)-1-(4-chlorophenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine,hydrobromide
CAS Number: 5583-02-8
Molecular Formula: C₁₃H₁₆BrClN₂O
Molecular Weight: 331.63600
Create Date: 2016-01-24 19:51:33
Modify Date: 2024-03-09 23:53:52

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

Molecular Formula	C₁₃H₁₆BrClN₂O
Molecular Weight	331.63600
Exact Mass	330.01300
PSA	36.32000
LogP	4.19630

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