Ketone, 4-bromo-3-methyl-5-isothiazolyl methyl, 4-(3-methoxypropyl)thiosemicarbazone

CAS 3787-35-7 MFCD01716562

化学结构图

3787-35-7
SMILES: COCCCNC(=S)N/N=C(\C)c1snc(C)c1Br

化学属性

Mol. FormulaC11H17BrN4OS2
Mol. Weight365.35

别名和识别编码

Chemical NameKetone, 4-bromo-3-methyl-5-isothiazolyl methyl, 4-(3-methoxypropyl)thiosemicarbazone
InChIKeyNDVKDHMRZPIXBJ-RIYZIHGNSA-N
Wiswesser Line NotationT5NSJ CY1&UNMYUS&M3O1 DE E1
Synonym 4-Bromo-3-methyl-5-isothiazolyl methyl ketone
Beilstein Registry Number0556360
CAS Number3787-35-7
PubChem Substance ID9570162
InChIInChI=1S/C11H17BrN4OS2/c1-7-9(12)10(19-16-7)8(2)14-15-11(18)13-5-4-6-17-3/h4-6H2,1-3H3,(H2,13,15,18)/b14-8+
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安全信息

RTECSOB1248000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2710 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 8,680,1965

系列性分类

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