Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, butyl ester
RN: 49806-93-1
InChIKey: VNLCKLBPCMKOGB-UNUAAEKOSA-M

Molecular Formula

  • C22-H34-N-O2.Cl

Molecular Weight

  • 379.969
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 49806-93-1

System Generated Number

  • 0049806931

Molecular Formulas

Molecular Formula

  • C22-H34-N-O2.Cl

Molecular Formula Fragments

  • C22-H34-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C22H34NO2.ClH/c1-3-4-17-25-22(24)19-23(14-9-6-10-15-23)16-13-20(2)18-21-11-7-5-8-12-21;/h5,7-8,11-13H,3-4,6,9-10,14-19H2,1-2H3;1H/q+1;/p-1/b20-13+;

InChIKey

VNLCKLBPCMKOGB-UNUAAEKOSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 21mg/kg (21mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 21mg/kg (21mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.