3-Pyrazolin-5-one, 4-butyl-3-hydroxy-1-(p-hydroxyphenyl)-2-phenyl-, compd. with alpha-((2-pyridylamino)methyl)benzyl alcohol (1:1)

CAS 3614-68-4 MFCD N/A

化学结构图

3614-68-4
SMILES: CCCCc1c(O)n(-c2ccc(O)cc2)n(-c2ccccc2)c1=O.OC(CNc1ccccn1)c1ccccc1

化学属性

Mol. Weight538.70
Mol. FormulaC19H20N2O3.C13H14N2O

别名和识别编码

Wiswesser Line NotationT5NNVJ AR DQ& BR& D4 EQ &T6NJ BM1YQR
Chemical NameCG 21
Synonym CG 21
CAS Number3614-68-4
InChIKeyZYPMQWFBSVRHCF-UHFFFAOYSA-N
PubChem Substance ID199013
InChIInChI=1S/C19H20N2O3.C13H14N2O/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15;16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h4-8,10-13,22,24H,2-3,9H2,1H3;1-9,12,16H,10H2,(H,14,15)
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安全信息

RTECSUQ8977400 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 550 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   103,245,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1450 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   103,245,1964

系列性分类

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