Thiohexital

CAS 7651-40-3 MFCD01665788

化学结构图

7651-40-3
SMILES: C=CCC1(C(C)C#CCC)C(=O)NC(=S)NC1=O

化学属性

Mol. FormulaC13H16N2O2S
Mol. Weight264.37

别名和识别编码

Chemical NameBarbituric acid,5-allyl-5-(1-methyl-2-pentynyl)-2-thio-, (+-)-
Wiswesser Line NotationT6VMYMV FHJ CUS FY1&1UU3 F2U1
Synonym (+-)-5-Allyl-5-(1-methyl-2-pentynyl)-2-thiobarbituric acid 4,6(1H,5H)-Pyrimidinedione, LY 22113 Lilly 22113 thiohexital thiohexital, sodium salt, (+-)-isomer
CAS Number7651-40-3
PubChem Substance ID3032537
InChIInChI=1S/C13H16N2O2S/c1-4-6-7-9(3)13(8-5-2)10(16)14-12(18)15-11(13)17/h5,9H,2,4,8H2,1,3H3,(H2,14,15,16,17,18)
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安全信息

RTECSCQ0411000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 32 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - excitement
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: 24,1241,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 54 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - excitement
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: 24,1241,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 64 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - excitement
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: 24,1241,1981

系列性分类

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