3-Methyl-1-phenyl-4-(piperidinomethylene)-2-pyrazolin-5-one

CAS 5496-04-8 MFCD05496048

化学结构图

5496-04-8
SMILES: CC1=NN(c2ccccc2)C(=O)C1=CN1CCCCC1

化学属性

Mol. FormulaC16H19N3O
Mol. Weight269.38

别名和识别编码

Chemical Name2-Pyrazolin-5-one, 3-methyl-1-phenyl-4-(piperidinomethylene)-
Chemicalbook IDCB42225441
Wiswesser Line NotationT6NTJ A1U- DT5NNVYJ BR& E1
Synonym 3-Methyl-1-phenyl-4-(piperidinomethylene)-2-pyrazolin-5-one
CAS Number5496-04-8
Beilstein Registry Number0616565
InChIKeyCPRWWCPKEGAJNJ-NTCAYCPXSA-N
PubChem Substance ID3037967
InChIInChI=1S/C16H19N3O/c1-13-15(12-18-10-6-3-7-11-18)16(20)19(17-13)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3/b15-12+
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安全信息

RTECSUQ9651000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CHTPBA Chimica Therapeutica.  (Paris, France)  V.1-8, 1965-73.  For
   publisher information, see EJMCA5.  Volume(issue)/page/year: 3,17,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Behavioral - analgesia
   Biochemical - Metabolism (Intermediary) - effect on inflammation or
   mediation of inflammation
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 19,1721,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >4 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CHTPBA Chimica Therapeutica.  (Paris, France)  V.1-8, 1965-73.  For
   publisher information, see EJMCA5.  Volume(issue)/page/year: 3,17,1968

系列性分类


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