Benzo(b)thiophene-3-methanol, alpha-(dimethylaminomethyl)-, picrate

CAS 7565-81-3 MFCD07565813

化学结构图

7565-81-3
SMILES: C[NH+](C)C[C@@H](O)c1csc2ccccc12.O=[N+]([O-])c1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1

化学属性

Mol. Weight450.46
Mol. FormulaC12H15NOS.C6H3N3O7

别名和识别编码

Wiswesser Line NotationT56 BSJ DYQ1N1&1 &WNR BQ CNW ENW
Chemical NameBenzo(b)thiophene-3-methanol, alpha-(dimethylaminomethyl)-, picrate
Synonym alpha-(Dimethylaminomethyl)benzo(b)thiophene-3-methanol picrate
CAS Number7565-81-3
InChIKeyCDBVCXKGDCGBCI-UHFFFAOYSA-N
PubChem Substance ID24224
InChIInChI=1S/C12H15NOS.C6H3N3O7/c1-13(2)7-11(14)10-8-15-12-6-4-3-5-9(10)12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-6,8,11,14H,7H2,1-2H3;1-2,10H
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安全信息

RTECSDL9685000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 300 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: 9,819,1966

系列性分类

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