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Substance Name: Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, hexyl ester
RN: 49806-95-3
InChIKey: VPYWBZOJWQNKNC-WXXHTBLMSA-M

Molecular Formula

  • C24-H38-N-O2.Cl

Molecular Weight

  • 408.022
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 49806-95-3

System Generated Number

  • 0049806953

Molecular Formulas

Molecular Formula

  • C24-H38-N-O2.Cl

Molecular Formula Fragments

  • C24-H38-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C24H38NO2.ClH/c1-3-4-5-12-19-27-24(26)21-25(16-10-7-11-17-25)18-15-22(2)20-23-13-8-6-9-14-23;/h6,8-9,13-15H,3-5,7,10-12,16-21H2,1-2H3;1H/q+1;/p-1/b22-15+;

InChIKey

VPYWBZOJWQNKNC-WXXHTBLMSA-M

Smiles

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

Toxicity

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