Benzimidazole, 2-((p-tert-butylphenyl)thio)-1-(2-(diethylamino)ethyl)-, dipicrate

CAS 5993-41-9 MFCD05993419

化学结构图

5993-41-9
SMILES: CC[NH+](CC)CCn1c(Sc2ccc(C(C)(C)C)cc2)[nH+]c2ccccc21.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1

化学属性

Mol. Weight839.87
Mol. FormulaC23H31N3S.2C6H3N3O7

别名和识别编码

Chemical NameBenzimidazole, 2-((p-tert-butylphenyl)thio)-1-(2-(diethylamino)ethyl)-, dipicrate
Synonym 2-((p-tert-Butylphenyl)thio)-1-(2-(diethylamino)ethyl)benzimidazole
CAS Number5993-41-9
InChIKeyDHWWYBFRPPLTLT-UHFFFAOYSA-N
PubChem Substance ID22313
InChIInChI=1S/C23H31N3S.2C6H3N3O7/c1-6-25(7-2)16-17-26-21-11-9-8-10-20(21)24-22(26)27-19-14-12-18(13-15-19)23(3,4)5;2*10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8-15H,6-7,16-17H2,1-5H3;2*1-2,10H
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安全信息

RTECSDD6386000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 262 mg/kg
TOXIC EFFECTS :
   Behavioral - analgesia
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 85,962,1965

系列性分类

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