2-Propylhexanoic Acid 2-丙基己酸

CAS 3274-28-0 MFCD01723297

化学结构图

3274-28-0
SMILES: CCCCC(CCC)C(=O)O

化学属性

Mol. FormulaC9H18O2
Mol. Weight158

别名和识别编码

Chemical Name2-Propylhexanoic Acid
CAS Number3274-28-0
Synonym 2-Propylhexanoic acid 4-Octanecarboxylic acid 4-Octanecarboxylic Acid
Chemical Name Translation2-丙基己酸
InChIKeyHWXRWNDOEKHFTL-UHFFFAOYSA-N
Beilstein Registry Number1754202
LabNetwork Molecule IDLN01311156
PubChem Substance ID18647
InChIInChI=1S/C9H18O2/c1-3-5-7-8(6-4-2)9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
MDL Number
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分类

  • Aliphatics
  • Metabolites & Impurities
  • Pharmaceuticals
  • Intermediates & Fine Chemicals

产品应用

  • A metabolite of Valproic acid.

相关文献及参考

  • Haj-Yehia, A., et al.: Pharm. Res., 6, 683 (1989),
  • Davis, R., et al.: Drugs, 47, 332 (1994),
  • Haj-Yehia, A., et al.: J. Pharm. Sci., 79, 719 (1990),

安全信息

RTECSMO8436000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 680 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
REFERENCE :
   NEPHBW Neuropharmacology.  (Pergamon Press Ltd., Headington Hill Hall,
   Oxford OX3 OBW, UK) V.9-    1970-  Volume(issue)/page/year: 24,427,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 380 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
REFERENCE :
   NEPHBW Neuropharmacology.  (Pergamon Press Ltd., Headington Hill Hall,
   Oxford OX3 OBW, UK) V.9-    1970-  Volume(issue)/page/year: 24,427,1985

系列性分类

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