(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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