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Substance Name: Piperidinium, 1-(2-methyl-5-(4-phenylpiperidino)-2,4-pentadienylidene)-4-phenyl-, chloride, hydrate
RN: 23996-82-9
InChIKey: ZWGAOFFHPFTCFP-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H35-N2.Cl.H2-O

Molecular Weight

  • 435.052
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 23996-82-9

System Generated Number

  • 0023996829

Molecular Formulas

Molecular Formula

  • C28-H35-N2.Cl.H2-O

Molecular Formula Fragments

  • C28-H35-N2
  • Cl
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C28H35N2.ClH/c1-24(23-30-21-16-28(17-22-30)26-12-6-3-7-13-26)9-8-18-29-19-14-27(15-20-29)25-10-4-2-5-11-25;/h2-13,18,23,27-28H,14-17,19-22H2,1H3;1H/q+1;/p-1

InChIKey

ZWGAOFFHPFTCFP-UHFFFAOYSA-M

Smiles

[ClH-].N1(CCC(c2ccccc2)CC1)\C=C/C=C(\C=[N+]1/CCC(CC1)c1ccccc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.
mouse LD50 oral 750mg/kg (750mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.