3-(2-Oxo-1-phenylcyclohexyl)butanoic acid

CAS 788-56-7 MFCD N/A

化学结构图

788-56-7
SMILES: CC(CC(=O)O)C1(c2ccccc2)CCCCC1=O

化学属性

Mol. Weight260.36
Mol. FormulaC16H20O3

别名和识别编码

Wiswesser Line NotationL6VTJ BY1&1VQ BR
Chemical NameCyclohexanepropionic acid, beta-methyl-2-oxo-1-phenyl-
Synonym Acido 2-fenilcicloessanon-2-beta-butirrico beta-Methyl-2-oxo-1-phenylcyclohexanepropionic acid
Beilstein Registry Number2749585
CAS Number788-56-7
Chemicalbook IDCB92292123
InChIKeyKGQKCKNIGGRZJO-UHFFFAOYSA-N
PubChem Substance ID120802
InChIInChI=1S/C16H20O3/c1-12(11-15(18)19)16(10-6-5-9-14(16)17)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3,(H,18,19)
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安全信息

RTECSGV6800000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 20,393,1965

系列性分类

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