(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

  • [4-(2,1,3-Benzothiadiazol-4-ylsulfonyl)piperazin-1-yl](2-methoxyphenyl)methanone
  • benzyl 4-(3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carboxylate
  • 3-methyl-1-(4-(3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl)butan-1-one
  • N-[1-(3-methoxypropyl)-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-yl]pyridine-4-carboxamide
  • 4-(1H-indol-3-yl)-1-{4-[(3,4,5-trimethoxyphenyl)carbonyl]piperazin-1-yl}butan-1-one
  • 3-(2-methyl-1,3-thiazol-4-yl)-2-oxo-2H-chromen-7-yl 4-fluorobenzoate
  • N-(2,4-dimethoxyphenyl)-3-phenyl-5,6-dihydro-1,4-oxathiine-2-carboxamide
  • 2-chloro-1-(4-(3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl)ethanone
  • 3-chloro-1-(4-(3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl)propan-1-one
  • 2-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-5-(1H-tetrazol-1-yl)benzamide
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