5583-17-5

5583-17-5 structure

5583-17-5 structure

Name: (1R,8aR)-1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine,hydrobromide
Chemical Name: (1R,8aR)-1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine,hydrobromide
CAS Number: 5583-17-5
Molecular Formula: C₁₄H₁₉BrN₂O₂
Molecular Weight: 327.21700
Create Date: 2018-06-26 14:24:27
Modify Date: 2024-03-05 19:19:41

Name	(1R,8aR)-1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine,hydrobromide
Synonyms	(1R,8aR)-1-(4-methoxyphenyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine hydrobromide 3H-Oxazolo(3,4-a)pyridine,hexahydro-3-imino-1-(p-methoxyphenyl)-,hydrobromide (E) trans-3-Imino-1-(p-methoxyphenyl)hexahydro-3H-oxazolo(3,4-a)pyridine hydrobromide

Molecular Formula	C₁₄H₁₉BrN₂O₂
Molecular Weight	327.21700
Exact Mass	326.06300
PSA	45.55000
LogP	3.55150

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RQ5833188

CHEMICAL NAME :: 3H-Oxazolo(3,4-a)pyridine, hexahydro-3-imino-1-(p-methoxyphenyl)-, hydrobromide (E)-

CAS REGISTRY NUMBER :: 5583-17-5

LAST UPDATED :: 199403

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C14-H18-N2-O2.Br-H

MOLECULAR WEIGHT :: 327.26

WISWESSER LINE NOTATION :: T56 ANYOTJ BUM DR DO1 -T &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 :: 300 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 :: 40 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