3,4,5-Trimethoxybenzoic acid 4-piperidinocyclohexyl ester hydrochloride

CAS 1532-13-4 MFCD01532134

化学结构图

1532-13-4
SMILES: COc1cc(C(=O)OC2CCC([NH+]3CCCCC3)CC2)cc(OC)c1OC.[Cl-]

化学属性

Mol. Weight413.99
Mol. FormulaC21H31NO5.ClH

别名和识别编码

Wiswesser Line NotationT6NTJ A- AL6TJ DOVR CO1 DO1 EO1 &GH
Chemical NameBenzoic acid, 3,4,5-trimethoxy-, 4-piperidinocyclohexyl ester, hydrochloride
Synonym Estere 3,4,5-trimetossibenzoico del 4-piperidino-cicloesanolo
CAS Number1532-13-4
InChIKeyLQGUJXQJPIVGRM-UHFFFAOYSA-N
PubChem Substance ID15228
InChIInChI=1S/C21H31NO5.ClH/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;1H
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安全信息

RTECSDI0877500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 190 mg/kg
TOXIC EFFECTS :
   Vascular - BP lowering not characterized in autonomic section
REFERENCE :
   PHAMEI Pharmacia Mediterranea.  (Marseille, France)  V.1-6, 1961-66(?).
   Volume(issue)/page/year: 6,117,1966

系列性分类

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