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Substance Name: Piperidinium, 1-(carboxymethyl)-1-(3-chloro-4-(p-methoxyphenyl)-2-butenyl)-, chloride, decyl ester
RN: 56080-89-8
InChIKey: ATCSHPUQBCMWTK-ZVOSEVRTSA-M

Molecular Formula

  • C28-H45-Cl-N-O3.Cl

Molecular Weight

  • 514.5735
 
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Names and Synonyms

Synonym

  • 1-(Decyloxycarbonylmethyl)-1-(3-chloro-4-(p-methoxyphenyl)-2-butenyl)piperidinium chloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 56080-89-8

System Generated Number

  • 0056080898

Molecular Formulas

Molecular Formula

  • C28-H45-Cl-N-O3.Cl

Molecular Formula Fragments

  • C28-H45-Cl-N-O3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C28H45ClNO3.ClH/c1-3-4-5-6-7-8-9-13-22-33-28(31)24-30(19-11-10-12-20-30)21-18-26(29)23-25-14-16-27(32-2)17-15-25;/h14-18H,3-13,19-24H2,1-2H3;1H/q+1;/p-1/b26-18-;

InChIKey

ATCSHPUQBCMWTK-ZVOSEVRTSA-M

Smiles

CCCCCCCCCCOC(=O)C[N+]1(CCCCC1)C/C=C(/Cc2ccc(cc2)OC)\Cl.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 28mg/kg (28mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 28mg/kg (28mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.