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Substance Name: Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, ethyl ester
RN: 49806-91-9
InChIKey: OEBVFWRVOBVICB-XMMWENQYSA-M

Molecular Formula

  • C20-H30-N-O2.Cl

Molecular Weight

  • 351.915
 
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Names and Synonyms

Synonym

  • 1-(3-Benzyl-2-butenyl)-1-(ethoxycarbonylmethyl)piperidinium chloride

Systematic Name

  • Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, ethyl ester

Registry Numbers

CAS Registry Number

  • 49806-91-9

System Generated Number

  • 0049806919

Molecular Formulas

Molecular Formula

  • C20-H30-N-O2.Cl

Molecular Formula Fragments

  • C20-H30-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C20H30NO2.ClH/c1-3-23-20(22)17-21(13-8-5-9-14-21)15-12-18(2)16-19-10-6-4-7-11-19;/h4,6-7,10-12H,3,5,8-9,13-17H2,1-2H3;1H/q+1;/p-1/b18-12+;

InChIKey

OEBVFWRVOBVICB-XMMWENQYSA-M

Smiles

[N+]1(CCCCC1)(C\C=C(\Cc1ccccc1)C)CC(=O)OCC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 28mg/kg (28mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 28mg/kg (28mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.