1,1'-(3,5-Dimethyl-1H-pyrrole-2,4-diyl)diethanone 1,1'-(3,5-二甲基-1H-吡咯-2,4-二基)双(乙烷-1-酮)

CAS 1500-92-1 MFCD00227067

化学结构图

1500-92-1
SMILES: CC(=O)c1[nH]c(C)c(C(C)=O)c1C

化学属性

Mol. FormulaC10H13NO2
Mol. Weight179.22

别名和识别编码

Chemical Name1,1'-(3,5-Dimethyl-1H-pyrrole-2,4-diyl)diethanone
Alfabeta NameDIMETHYLPYRROLEDIYLDIETHANONE H1135124()------,,,'
MDL NumberMFCD00227067
CAS Number1500-92-1
Chemical Name Translation1,1'-(3,5-二甲基-1H-吡咯-2,4-二基)双(乙烷-1-酮)
InChIKeyQQDLJFDTROVUDP-UHFFFAOYSA-N
Wiswesser Line NotationT5MJ BV1 C1 DV1 E1
Synonym 1,1'-(3,5-Dimethyl-1H-pyrrole-2,4-diyl)bis(ethan-1-one) {LY} 1,1'-(3,5-Dimethyl-1H-pyrrole-2,4-diyl)bis(ethan-1-one) {} {LY} 1,1'-(3,5-Dimethyl-1H-pyrrole-2,4-diyl)bis(ethan-1-one) {} {} {LY} 1,1'-(3,5-Dimethyl-1H-pyrrole-2,4-diyl)bis(ethan-1-one) {} {} {} {LY} 1,1'-(3,5-Dimethyl-1H-pyrrole-2,4-diyl)bis(ethan-1-one) {} {} {} {} {LY} 1,1'-(3,5-Dimethyl-1H-pyrrole-2,4-diyl)bis(ethan-1-one) {} {} {} {} {} {LY} 1,1'-(3,5-Dimethyl-1H-pyrrole-2,4-diyl)bis(ethan-1-one) {} {} {} {} {} {} {LY} 1,1'-(3,5-Dimethyl-1H-pyrrole-2,4-diyl)bis(ethan-1-one) {} {} {} {} {} {} {} {LY} 1,1'-(3,5-Dimethyl-1H-pyrrole-2,4-diyl)bis(ethan-1-one) {} {} {} {} {} {} {} {} {LY} 1,1'-(3,5-Dimethyl-1H-pyrrole-2,4-diyl)bis(ethan-1-one) {} {} {} {} {} {} {} {} {} {LY} 1,1'-(3,5-Dimethyl-1H-pyrrole-2,4-diyl)bis(ethan-1-one) {} {} {} {} {} {} {} {} {} {} {LY} 1,1'-(3,5-Dimethyl-1H-pyrrole-2,4-diyl)bis(ethan-1-one) {} {} {} {} {} {} {} {} {} {} {} {LY} 1,1'-(3,5-Dimethyl-1H-pyrrole-2,4-diyl)bis(ethan-1-
Beilstein Registry Number0134077
LabNetwork Molecule IDLN00143268
PubChem Substance ID200285
InChIInChI=1S/C10H13NO2/c1-5-9(7(3)12)6(2)11-10(5)8(4)13/h11H,1-4H3
Canonical SMILESCC1=C(C(=O)C)NC(=C1C(=O)C)C
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安全信息

Warnings IRRITANT
RTECSUX9455000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 200 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

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   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

Storage condition

系列性分类

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