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Substance Name: Piperidinium, 1-(4-(o-chlorophenyl)-2-butenyl)-1-(3-methyl-4-phenyl-2-butenyl)-, chloride
RN: 34624-21-0
InChIKey: ROFRQEDOMCZWDB-XQQRSLIFSA-M

Molecular Formula

  • C26-H33-Cl-N.Cl

Molecular Weight

  • 430.46
 
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Names and Synonyms

Synonym

  • 1-(4-(o-Chlorophenyl)-2-butenyl)-1-(3-methyl-4-phenyl-2-butenyl)piperidinium chloride

Systematic Name

  • Piperidinium, 1-(4-(o-chlorophenyl)-2-butenyl)-1-(3-methyl-4-phenyl-2-butenyl)-, chloride

Registry Numbers

CAS Registry Number

  • 34624-21-0

System Generated Number

  • 0034624210

Molecular Formulas

Molecular Formula

  • C26-H33-Cl-N.Cl

Molecular Formula Fragments

  • C26-H33-Cl-N
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C26H33ClN.ClH/c1-23(22-24-12-4-2-5-13-24)17-21-28(18-9-3-10-19-28)20-11-8-15-25-14-6-7-16-26(25)27;/h2,4-8,11-14,16-17H,3,9-10,15,18-22H2,1H3;1H/q+1;/p-1/b11-8+,23-17+;

InChIKey

ROFRQEDOMCZWDB-XQQRSLIFSA-M

Smiles

[N+]1(CCCCC1)(C\C=C(\Cc1ccccc1)C)C\C=C\Cc1c(cccc1)Cl.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 48mg/kg (48mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.
rat LD50 intraperitoneal 48mg/kg (48mg/kg)   Russian Pharmacology and Toxicology Vol. 40, Pg. 69, 1977.