[(4aR,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-7-yl] 4-methoxybenzoate bromide

Modify Date: 2025-09-18 09:46:09

[(4aR,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-7-yl] 4-methoxybenzoate bromide structure	Common Name	[(4aR,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-7-yl] 4-methoxybenzoate bromide
	CAS Number	28798-16-5	Molecular Weight	412.36100
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₀H₃₀BrNO₃	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	[(4aR,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate,bromide

Molecular Formula	C₂₀H₃₀BrNO₃
Molecular Weight	412.36100
Exact Mass	411.14100
PSA	35.53000
LogP	0.46990

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NX5136160

CHEMICAL NAME :: Isoquinolium, 1,2,3,4,4a-beta,5,6,7,8,8a-beta-decahydro-2-ethyl-7-a lpha-hydroxy-2-methyl -, bromide, p-anisate

CAS REGISTRY NUMBER :: 28798-16-5

LAST UPDATED :: 199203

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C20-H30-N-O3.Br

MOLECULAR WEIGHT :: 412.42

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 12200 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 90,913,1970

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