1-(o-Chlorobenzyl)-alpha-methyl-2-oxocyclohexanepropionic acid

CAS 4418-45-5 MFCD04418455

化学结构图

4418-45-5
SMILES: CC(CC1(Cc2ccccc2Cl)CCCCC1=O)C(=O)O

化学属性

Mol. Weight308.83
Mol. FormulaC17H21ClO3

别名和识别编码

Wiswesser Line NotationL6VTJ B1Y1&VQ B1R BG
Chemical NameCyclohexanepropionic acid, 1-(o-chlorobenzyl)-alpha-methyl-2-oxo-
Synonym Acido 2-(o-chlorobenzil)cicloessanon-2-beta-isobutirrico 1-(o-Chlorobenzyl)-alpha-methyl-2-oxocyclohexanepropionic acid
Beilstein Registry Number2758742
CAS Number4418-45-5
Chemicalbook IDCB22265005
InChIKeyWLDLYPQRSVEJCS-UHFFFAOYSA-N
PubChem Substance ID199568
InChIInChI=1S/C17H21ClO3/c1-12(16(20)21)10-17(9-5-4-8-15(17)19)11-13-6-2-3-7-14(13)18/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,20,21)
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安全信息

RTECSGV6760000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 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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