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Substance Name: Piperidinium, 1-(carboxymethyl)-1-(3-(o-chlorobenzyl)-2-butenyl)-, chloride, heptyl ester
RN: 62988-50-5
InChIKey: PDRXYQLQCFBWEJ-WXXHTBLMSA-M

Molecular Formula

  • C25-H39-Cl-N-O2.Cl

Molecular Weight

  • 456.4941
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 62988-50-5

System Generated Number

  • 0062988505

Molecular Formulas

Molecular Formula

  • C25-H39-Cl-N-O2.Cl

Molecular Formula Fragments

  • C25-H39-Cl-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C25H39ClNO2.ClH/c1-3-4-5-6-12-19-29-25(28)21-27(16-10-7-11-17-27)18-15-22(2)20-23-13-8-9-14-24(23)26;/h8-9,13-15H,3-7,10-12,16-21H2,1-2H3;1H/q+1;/p-1/b22-15+;

InChIKey

PDRXYQLQCFBWEJ-WXXHTBLMSA-M

Smiles

CCCCCCCOC(=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 23mg/kg (23mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 23mg/kg (23mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.