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Substance Name: Piperidinium, 1-(2-methyl-5-piperidino-2,4-pentadienylidene)-, chloride, hydrate
RN: 23996-77-2
InChIKey: ATDJBVLEABOLOI-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H27-N2.Cl.H2-O

Molecular Weight

  • 282.856
 
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Names and Synonyms

Synonym

  • 1-(2-Methyl-5-piperidino-2,4-pentadienylidene)piperidinium chloride hydrate

Systematic Name

  • Piperidinium, 1-(2-methyl-5-piperidino-2,4-pentadienylidene)-, chloride, hydrate

Registry Numbers

CAS Registry Number

  • 23996-77-2

System Generated Number

  • 0023996772

Molecular Formulas

Molecular Formula

  • C16-H27-N2.Cl.H2-O

Molecular Formula Fragments

  • C16-H27-N2
  • Cl
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H27N2.ClH/c1-16(15-18-12-6-3-7-13-18)9-8-14-17-10-4-2-5-11-17;/h8-9,14-15H,2-7,10-13H2,1H3;1H/q+1;/p-1

InChIKey

ATDJBVLEABOLOI-UHFFFAOYSA-M

Smiles

[N+]1(\CCCCC1)=C\C(=C/C=C\N1CCCCC1)C.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 10mg/kg (10mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.
mouse LD50 oral 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.