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Substance Name: Piperidinium, 1-(3-chloro-4-(p-tolyl)-2-butenyl)-1-(4-(p-tolyl)-2-butenyl)-, chloride
RN: 34624-20-9
InChIKey: FYMDLVSIACXSNL-ZOORGPLSSA-M

Molecular Formula

  • C27-H35-Cl-N.Cl

Molecular Weight

  • 444.487
 
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Names and Synonyms

Synonym

  • 1-(3-Chloro-4-(p-tolyl)-2-butenyl)-1-(4-(p-tolyl)-2-butenyl)piperidinium chloride

Systematic Name

  • Piperidinium, 1-(3-chloro-4-(p-tolyl)-2-butenyl)-1-(4-(p-tolyl)-2-butenyl)-, chloride

Registry Numbers

CAS Registry Number

  • 34624-20-9

System Generated Number

  • 0034624209

Molecular Formulas

Molecular Formula

  • C27-H35-Cl-N.Cl

Molecular Formula Fragments

  • C27-H35-Cl-N
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C27H35ClN.ClH/c1-23-9-13-25(14-10-23)8-4-7-20-29(18-5-3-6-19-29)21-17-27(28)22-26-15-11-24(2)12-16-26;/h4,7,9-17H,3,5-6,8,18-22H2,1-2H3;1H/q+1;/p-1/b7-4+,27-17-;

InChIKey

FYMDLVSIACXSNL-ZOORGPLSSA-M

Smiles

[N+]1(CCCCC1)(C\C=C\Cc1ccc(cc1)C)C\C=C(\Cc1ccc(cc1)C)Cl.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 50mg/kg (50mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.