Ketone, 2,5-dimethylpyrrol-3-yl methyl

CAS 1500-94-3 MFCD01500943

化学结构图

1500-94-3
SMILES: CC(=O)c1cc(C)[nH]c1C

化学属性

Mol. FormulaC8H11NO
Mol. Weight137.20

别名和识别编码

Chemical NameKetone, 2,5-dimethylpyrrol-3-yl methyl
Chemicalbook IDCB21068588
Wiswesser Line NotationT5MJ B1 CV1 E1
Synonym 3-Acetyl-2,5-dimethyl-pyrrole 2,5-Dimethylpyrrol-3-yl methyl ketone
CAS Number1500-94-3
Beilstein Registry Number0112096
InChIKeyVGZCKCJMYREIKA-UHFFFAOYSA-N
PubChem Substance ID237027
InChIInChI=1S/C8H11NO/c1-5-4-8(7(3)10)6(2)9-5/h4,9H,1-3H3
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安全信息

RTECSOB2887000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 225 mg/kg
TOXIC EFFECTS :
   Behavioral - anticonvulsant
   Behavioral - somnolence (general depressed activity)
   Behavioral - changes in motor activity (specific assay)
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 11,1251,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 553 mg/kg
TOXIC EFFECTS :
   Brain and Coverings - recordings from specific areas of CNS
   Behavioral - somnolence (general depressed activity)
   Behavioral - changes in motor activity (specific assay)
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 11,1251,1968

系列性分类

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