2-((9H-purin-6-yl)thio)acetonitrile 2-((9H-嘌呤-6-基)硫代)乙腈

CAS 5443-91-4 MFCD N/A

化学结构图

5443-91-4
SMILES: N#CCSc1ncnc2nc[nH]c12

化学属性

Mol. FormulaC7H5N5S
Mol. Weight191.23

别名和识别编码

Chemical Name2-((9H-purin-6-yl)thio)acetonitrile
Synonym NSC 19866 6-(Cyanomethylthio)-9H-purine (Purin-6-ylthio)acetonitrile
CAS Number5443-91-4
Beilstein Registry Number0013487
InChIKeyYPTKQMBEDCVGLW-UHFFFAOYSA-N
PubChem Substance ID21586
InChIInChI=1S/C7H5N5S/c8-1-2-13-7-5-6(10-3-9-5)11-4-12-7/h3-4H,2H2,(H,9,10,11,12)
Chemical Name Translation2-((9H-嘌呤-6-基)硫代)乙腈
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安全信息

RTECSAM1990000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 115 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCISP* National Cancer Institute Screening Program Data Summary,
   Developmental Therapeutics Program. (Bethesda, MD 20205)
   Volume(issue)/page/year: JAN1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 85 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 71,618,1982

系列性分类

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