Benzoic acid, 4-butylamino-2-chloro-, N-methyl-4-piperidyl ester, methanesulfonate

CAS 5066-49-9 MFCD N/A

化学结构图

5066-49-9
SMILES: CCCCNc1ccc(C(=O)OC2CC[NH+](C)CC2)c(Cl)c1.CS(=O)(=O)[O-]

化学属性

Mol. Weight408.99
Mol. FormulaC16H25ClN2O2.CH4O3S

别名和识别编码

Synonym 4-Butylamino-2-chlorobenzoic acid N-methyl-4-piperidyl ester
Wiswesser Line NotationT6NTJ A1 DOVR BG DM4 &WSQ1
Chemical NameBenzoic acid, 4-butylamino-2-chloro-, N-methyl-4-piperidyl ester, methanesulfonate
CAS Number5066-49-9
InChIKeyHOEMGXDLQQOUJN-UHFFFAOYSA-N
PubChem Substance ID21153
InChIInChI=1S/C17H25ClN2O2.CH4O3S/c1-3-4-9-19-13-5-6-15(16(18)12-13)17(21)22-14-7-10-20(2)11-8-14;1-5(2,3)4/h5-6,12,14,19H,3-4,7-11H2,1-2H3;1H3,(H,2,3,4)
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安全信息

RTECSDG4711000 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 39 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMPCAS Journal of Medicinal and Pharmaceutical Chemistry.  (Washington, DC)
   V.1-5, 1959-62.  For publisher information, see JMCMAR.
   Volume(issue)/page/year: 3,525,1961

系列性分类

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