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Substance Name: Piperazinium, 4-phenyl-1-(5-(4-phenylpiperazino)-2,4-pentadienylidene)-, chloride, sesquihydrate
RN: 63867-59-4
InChIKey: OLGQEKQLWIIWDX-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N4.Cl.3/2H2-O

Molecular Weight

  • 900.046
 
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Names and Synonyms

Synonym

  • 4-Phenyl-1-(5-(4-phenylpiperazino)-2,4-pentadienylidene)piperazinium chloride sesquihydrate

Systematic Name

  • Piperazinium, 4-phenyl-1-(5-(4-phenylpiperazino)-2,4-pentadienylidene)-, chloride, sesquihydrate

Registry Numbers

CAS Registry Number

  • 63867-59-4

System Generated Number

  • 0063867594

Molecular Formulas

Molecular Formula

  • C25-H31-N4.Cl.3/2H2-O

Molecular Formula Fragments

  • C25-H31-N4
  • Cl
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C25H31N4.2ClH.3H2O/c2*1-4-10-24(11-5-1)28-20-16-26(17-21-28)14-8-3-9-15-27-18-22-29(23-19-27)25-12-6-2-7-13-25;;;;;/h2*1-15H,16-23H2;2*1H;3*1H2/q2*+1;;;;;/p-2

InChIKey

OLGQEKQLWIIWDX-UHFFFAOYSA-L

Smiles

[N+]1(=C\C=C/C=C/N2CCN(CC2)c2ccccc2)\CCN(CC1)c1ccccc1.[ClH-].O.[N+]1(=C\C=C/C=C/N2CCN(CC2)c2ccccc2)\CCN(CC1)c1ccccc1.[ClH-].O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.