Benzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester

CAS 1532-12-3 MFCD01532123

化学结构图

1532-12-3
SMILES: COc1cc(C(=O)OC2CCC(N3CCCCC3)CC2)cc(OC)c1OC

化学属性

Mol. Weight377.53
Mol. FormulaC21H31NO5

别名和识别编码

Chemical NameBenzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester
Chemicalbook IDCB52363728
Wiswesser Line NotationT6NTJ A- AL6TJ DOVR CO1 DO1 EO1
Synonym Cyclohexanol, 4-piperidino-, 3,4,5-trimethoxybenzoate 3,4,5-Trimethoxybenzoic acid 4-piperidinocyclohexyl ester
Beilstein Registry Number1265757
CAS Number1532-12-3
InChIKeyUNYOEMGZKJSZNF-UHFFFAOYSA-N
PubChem Substance ID15227
InChIInChI=1S/C21H31NO5/c1-24-18-13-15(14-19(25-2)20(18)26-3)21(23)27-17-9-7-16(8-10-17)22-11-5-4-6-12-22/h13-14,16-17H,4-12H2,1-3H3
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安全信息

RTECSDI0877200 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 650 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   106,243,1967

系列性分类

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