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Substance Name: Piperidinium, 1-(4-(o-bromophenyl)-2-butenyl)-1-(carboxymethyl)-, chloride, methyl ester
RN: 52171-87-6
InChIKey: WVMGMEDIUKWTQH-HAAWTFQLSA-M

Molecular Formula

  • C18-H25-Br-N-O2.Cl

Molecular Weight

  • 402.7575
 
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Names and Synonyms

Synonym

  • 1-(4-(o-Bromophenyl)-2-butenyl)-1-(methoxycarbonylmethyl)piperidinium chloride

Systematic Name

  • Piperidinium, 1-(4-(o-bromophenyl)-2-butenyl)-1-(carboxymethyl)-, chloride, methyl ester

Registry Numbers

CAS Registry Number

  • 52171-87-6

System Generated Number

  • 0052171876

Molecular Formulas

Molecular Formula

  • C18-H25-Br-N-O2.Cl

Molecular Formula Fragments

  • C18-H25-Br-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C18H25BrNO2.ClH/c1-22-18(21)15-20(12-6-2-7-13-20)14-8-5-10-16-9-3-4-11-17(16)19;/h3-5,8-9,11H,2,6-7,10,12-15H2,1H3;1H/q+1;/p-1/b8-5+;

InChIKey

WVMGMEDIUKWTQH-HAAWTFQLSA-M

Smiles

COC(=O)C[N+]1(CCCCC1)C/C=C/Cc2ccccc2Br.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 133mg/kg (133mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 133mg/kg (133mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.