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Substance Name: Piperidinium, 1-(3-chloro-4-phenyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester
RN: 57757-54-7
InChIKey: RFYLQLTWNLGMMQ-ZVOSEVRTSA-M

Molecular Formula

  • C27-H43-Cl-O2.Cl

Molecular Weight

  • 484.5477
 
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Names and Synonyms

Synonym

  • 1-(3-Chloro-4-phenyl-2-butenyl)-1-(carboxymethyl)piperidinium chloride decyl ester

Systematic Name

  • Piperidinium, 1-(3-chloro-4-phenyl-2-butenyl)-1-(carboxymethyl)-, chloride, decyl ester

Registry Numbers

CAS Registry Number

  • 57757-54-7

System Generated Number

  • 0057757547

Molecular Formulas

Molecular Formula

  • C27-H43-Cl-O2.Cl

Molecular Formula Fragments

  • C27-H43-Cl-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C27H43ClNO2.ClH/c1-2-3-4-5-6-7-8-15-22-31-27(30)24-29(19-13-10-14-20-29)21-18-26(28)23-25-16-11-9-12-17-25;/h9,11-12,16-18H,2-8,10,13-15,19-24H2,1H3;1H/q+1;/p-1/b26-18-;

InChIKey

RFYLQLTWNLGMMQ-ZVOSEVRTSA-M

Smiles

CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(/Cc2ccccc2)\Cl.[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.