Sodium 5-(2-bromoallyl)-5-(sec-pentyl)barbiturate

CAS 3330-46-9 MFCD03330469

化学结构图

3330-46-9
SMILES: C=C(Br)CC1(C(C)CCC)C(=O)[N-]C(=O)[N-]C1=O.[Na+].[Na+]

化学属性

Mol. FormulaC12H17BrN2O3.Na
Mol. Weight340.21

别名和识别编码

Chemical NameBarbituric acid, 5-(2-bromoallyl)-5-(1-methylbutyl)-, sodium salt
Chemicalbook IDCB8938800
Wiswesser Line NotationT6VMVMV FHJ FY3&1 F1YEU1 &-NA-
Synonym 2,4,6(1H,3H,5H)-Pyrimidinetrione,
CAS Number3330-46-9
InChIKeyPJXYUBAEEYRXTO-UHFFFAOYSA-M
PubChem Substance ID23691020
InChIInChI=1S/C12H17BrN2O3.Na/c1-4-5-7(2)12(6-8(3)13)9(16)14-11(18)15-10(12)17;/h7H,3-6H2,1-2H3,(H2,14,15,16,17,18);/q;+1/p-1
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安全信息

RTECSCQ1225000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : 70 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Behavioral - excitement
   Behavioral - ataxia
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 88,260,194

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - cat
DOSE/DURATION           : 110 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Behavioral - excitement
   Behavioral - ataxia
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 88,260,1946

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 40 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 29,49,1940

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 75 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - other changes
   Gastrointestinal - other changes
   Liver - other changes
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 57,289,1

系列性分类

  1. Functional Group 官能团索引
  2. vinyl bromide 乙烯基溴

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