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Substance Name: Piperidinium, 1-(3-benzyl-2-butenyl)-1-(carboxymethyl)-, chloride, cyclohexyl ester
RN: 49806-99-7
InChIKey: ITWCFMNRUBTCRX-NEMIEIFKSA-M

Molecular Formula

  • C24-H36-N-O2.Cl

Molecular Weight

  • 406.006
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 49806-99-7

System Generated Number

  • 0049806997

Molecular Formulas

Molecular Formula

  • C24-H36-N-O2.Cl

Molecular Formula Fragments

  • C24-H36-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C24H36NO2.ClH/c1-21(19-22-11-5-2-6-12-22)15-18-25(16-9-4-10-17-25)20-24(26)27-23-13-7-3-8-14-23;/h2,5-6,11-12,15,23H,3-4,7-10,13-14,16-20H2,1H3;1H/q+1;/p-1/b21-15+;

InChIKey

ITWCFMNRUBTCRX-NEMIEIFKSA-M

Smiles

[N+]1(CCCCC1)(C\C=C(\Cc1ccccc1)C)CC(=O)OC1CCCCC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 30mg/kg (30mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 30mg/kg (30mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.