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Substance Name: Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, hexyl ester
RN: 62988-49-2
InChIKey: VTDZAHQBJBDRQK-UNLLECTCSA-M

Molecular Formula

  • C24-H37-Cl-N-O2.Cl

Molecular Weight

  • 442.4673
 
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Names and Synonyms

Synonyms

  • 1-(3-(o-Chlorobenzyl)-2-butenyl)-1-(hexyloxycarbonylmethyl)piperidinium chloride
  • Piperidinium, 1-(3-(o-chlorobenzyl)-2-butenyl)-1-(hexyloxycarbonylmethyl)-, chloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 62988-49-2

System Generated Number

  • 0062988492

Molecular Formulas

Molecular Formula

  • C24-H37-Cl-N-O2.Cl

Molecular Formula Fragments

  • C24-H37-Cl-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C24H37ClNO2.ClH/c1-3-4-5-11-18-28-24(27)20-26(15-9-6-10-16-26)17-14-21(2)19-22-12-7-8-13-23(22)25;/h7-8,12-14H,3-6,9-11,15-20H2,1-2H3;1H/q+1;/p-1/b21-14+;

InChIKey

VTDZAHQBJBDRQK-UNLLECTCSA-M

Smiles

CCCCCCOC(=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 32mg/kg (32mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 32mg/kg (32mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.