(1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol,hydrochloride

Names

[ CAS No. ]:
50776-39-1

[ Name ]:
(1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol,hydrochloride

[Synonym ]:
D-8955 hydrochloride
Tinofedrine hydrochloride
Novocebrin hydrochloride
Tinofedrine HCl

Chemical & Physical Properties

[ Molecular Formula ]:
C₂₀H₂₂ClNOS₂

[ Molecular Weight ]:
391.97800

[ Exact Mass ]:
391.08300

[ PSA ]:
88.74000

[ LogP ]:
6.14590

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DO5464000

CHEMICAL NAME :: Benzyl alcohol, alpha-(1-((3,3-di-3-thienylallyl)amino)ethyl)-, hydrochloride, (+)-(alpha-R,S)-

CAS REGISTRY NUMBER :: 50776-39-1

LAST UPDATED :: 199109

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C20-H21-N-O-S2.Cl-H

MOLECULAR WEIGHT :: 392.00

WISWESSER LINE NOTATION :: T5SJ CYU2MY1&YQR&- CT5SJ &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 6600 mg/kg

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

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,286,1979

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 14 mg/kg

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

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,286,1979

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1890 mg/kg

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

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,286,1979

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 20150 ug/kg

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

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,286,1979

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: >5040 mg/kg

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

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,286,1979

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 :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,286,1979

Related Compounds

N-(2-(tert-butyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
5-oxo-1-phenyl-N-(2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pyrrolidine-3-carboxamide
5-oxo-N-(2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-1-(p-tolyl)pyrrolidine-3-carboxamide
N-(2-(4-chlorophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
6-methyl-2-(4-((4-phenoxyphenyl)sulfonyl)piperazin-1-yl)-N-(p-tolyl)pyrimidin-4-amine
5-oxo-1-phenyl-N-(2-(m-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pyrrolidine-3-carboxamide
3-(4-methoxyphenyl)-N-(2-(4-nitrophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)propanamide
2-(4-((5-(tert-butyl)-2-methoxyphenyl)sulfonyl)piperazin-1-yl)-6-methyl-N-(p-tolyl)pyrimidin-4-amine
N-(2-(tert-butyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3,3-diphenylpropanamide
N-[2-tert-butyl-5,5-bis(oxidanylidene)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-(4-methylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

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