Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, propyl ester
RN: 49806-92-0
InChIKey: BPGZXEVTPFMSCQ-NNTHFVATSA-M

Molecular Formula

  • C21-H32-N-O2.Cl

Molecular Weight

  • 365.942
 
* 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-(propoxycarbonylmethyl)piperidinium chloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 49806-92-0

System Generated Number

  • 0049806920

Molecular Formulas

Molecular Formula

  • C21-H32-N-O2.Cl

Molecular Formula Fragments

  • C21-H32-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C21H32NO2.ClH/c1-3-16-24-21(23)18-22(13-8-5-9-14-22)15-12-19(2)17-20-10-6-4-7-11-20;/h4,6-7,10-12H,3,5,8-9,13-18H2,1-2H3;1H/q+1;/p-1/b19-12+;

InChIKey

BPGZXEVTPFMSCQ-NNTHFVATSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 68mg/kg (68mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 67mg/kg (67mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.