102612-94-2

102612-94-2 structure

102612-94-2 structure

Name: 2-(1,3-benzodioxol-5-yl)-3-[3-(2-methylpropylamino)propyl]-1,3-thiazolidin-4-one,hydrochloride
Chemical Name: 2-(1,3-benzodioxol-5-yl)-3-[3-(2-methylpropylamino)propyl]-1,3-thiazolidin-4-one,hydrochloride
CAS Number: 102612-94-2
Molecular Formula: C₁₇H₂₅ClN₂O₃S
Molecular Weight: 372.91000
Create Date: 2016-01-31 11:49:13
Modify Date: 2024-02-09 21:53:00

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

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

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