2-(1,3-benzodioxol-5-yl)-3-[3-(2-methylpropylamino)propyl]-1,3-thiazolidin-4-one,hydrochloride

Names

[ Name ]:
2-(1,3-benzodioxol-5-yl)-3-[3-(2-methylpropylamino)propyl]-1,3-thiazolidin-4-one,hydrochloride

[Synonym ]:
2-Benzo[1,3]dioxol-5-yl-3-(3-isobutylamino-propyl)-thiazolidin-4-on,Hydrochlorid
4-Thiazolidinone,3-(3-(isobutylamino)propyl)-2-(3,4-methylenedioxyphenyl)-,monohydrochloride
2-(1,3-benzodioxol-5-yl)-3-[3-(2-methylpropylamino)propyl]-1,3-thiazolidin-4-one hydrochloride
WIN 2661
2-benzo[1,3]dioxol-5-yl-3-(3-isobutylamino-propyl)-thiazolidin-4-one,hydrochloride
3-(3-(Isobutylamino)propyl)-2-(3,4-methylenedioxyphenyl)-4-thiazolidinone hydrochloride

Chemical & Physical Properties

[ Boiling Point ]:
517.5ºC at 760mmHg

[ Molecular Formula ]:
C₁₇H₂₅ClN₂O₃S

[ Molecular Weight ]:
372.91000

[ Flash Point ]:
266.8ºC

[ Exact Mass ]:
372.12700

[ PSA ]:
76.10000

[ LogP ]:
3.75580

[ Vapour Pressure ]:
8.15E-11mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XJ6277000

CHEMICAL NAME :: 4-Thiazolidinone, 3-(3-(isobutylamino)propyl)-2-(3,4-methylenedioxyphen yl)-, monohydrochloride

CAS REGISTRY NUMBER :: 102612-94-2

LAST UPDATED :: 198609

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C17-H24-N2-O3-S.Cl-H

MOLECULAR WEIGHT :: 372.95

WISWESSER LINE NOTATION :: T56 BO DO CHJ H- ET5NV DSTJ A3M1Y1&1 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 40,132,1951 ** ACUTE TOXICITY DATA **

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 320 mg/kg

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

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 40,132,1951

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 40 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - other changes

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 123,269,1958

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 20 mg/kg

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

REFERENCE :: JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 40,132,1951

Related Compounds

2-(2,5-Dichloro-pyrimidin-4-ylamino)-N-ethyl-benzamide
1-(3-Methoxy-4-nitrophenyl)-3-methylpiperazine
Tert-butyl 4-(3-amino-4-methylbenzoyl)piperazine-1-carboxylate
1-(4-(3-Methoxy-4-nitrophenyl)-2,6-dimethylpiperazin-1-yl)ethanone
tert-Butyl 3-amino-4-(cyclopentylamino)benzoate
tert-Butyl 3-amino-4-(cyclobutylamino)benzoate
tert-Butyl 4-(chloroacetyl)-1-cyclopropyl-2-oxo-1,2,3,4-tetrahydro-6-quinoxaline-carboxylate
Tert-butyl 4-(isopropylamino)-3-nitrobenzoate
4-(1-benzyl-1H-indol-3-yl)butanoic acid
3-((4-Methylbenzyl)oxy)azetidine

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