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Substance Name: Piperidinium, 1,1-bis(3-chloro-4-phenyl-2-butenyl)-, chloride
RN: 34624-22-1
InChIKey: XQTADQAGXMKMRV-OHPZWIJZSA-M

Molecular Formula

  • C25-H30-Cl2-N.Cl

Molecular Weight

  • 450.878
 
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Names and Synonyms

Synonym

  • 1,1-Bis(3-chloro-4-phenyl-2-butenyl)piperidinium chloride

Systematic Name

  • Piperidinium, 1,1-bis(3-chloro-4-phenyl-2-butenyl)-, chloride

Registry Numbers

CAS Registry Number

  • 34624-22-1

System Generated Number

  • 0034624221

Molecular Formulas

Molecular Formula

  • C25-H30-Cl2-N.Cl

Molecular Formula Fragments

  • C25-H30-Cl2-N
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C25H30Cl2N.ClH/c26-24(20-22-10-4-1-5-11-22)14-18-28(16-8-3-9-17-28)19-15-25(27)21-23-12-6-2-7-13-23;/h1-2,4-7,10-15H,3,8-9,16-21H2;1H/q+1;/p-1/b24-14-,25-15-;

InChIKey

XQTADQAGXMKMRV-OHPZWIJZSA-M

Smiles

[N+]1(CCCCC1)(C\C=C(\Cc1ccccc1)Cl)C\C=C(\Cc1ccccc1)Cl.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 12mg/kg (12mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 12mg/kg (12mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.