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Substance Name: Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, butyl ester
RN: 63148-30-1
InChIKey: CWPARXXVSOHEMA-NNTHFVATSA-M

Molecular Formula

  • C22-H33-Cl-N-O2.Cl

Molecular Weight

  • 414.4137
 
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Names and Synonyms

Synonym

  • 1-(Butoxycarbonylmethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)piperidinium chloride

Systematic Name

  • Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, butyl ester

Registry Numbers

CAS Registry Number

  • 63148-30-1

System Generated Number

  • 0063148301

Molecular Formulas

Molecular Formula

  • C22-H33-Cl-N-O2.Cl

Molecular Formula Fragments

  • C22-H33-Cl-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C22H33ClNO2.ClH/c1-3-4-16-26-22(25)18-24(13-8-5-9-14-24)15-12-19(2)17-20-10-6-7-11-21(20)23;/h6-7,10-12H,3-5,8-9,13-18H2,1-2H3;1H/q+1;/p-1/b19-12+;

InChIKey

CWPARXXVSOHEMA-NNTHFVATSA-M

Smiles

CCCCOC(=O)C[N+]1(CCCCC1)C/C=C(\C)/Cc2ccccc2Cl.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 17mg/kg (17mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 17mg/kg (17mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.