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Substance Name: Ammonium, dibenzyl(5-dibenzylamino-2,4-pentadienylidene)-, chloride, sesquihydrate
RN: 63957-48-2
InChIKey: BJCWIQWIQDDOBQ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H33-N2.Cl.3/2H2-O

Molecular Weight

  • 493.091
 
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Names and Synonyms

Synonym

  • Dibenzyl(5-dibenzylamino-2,4-pentadienylidene)ammonium chloride sesquihydrate

Systematic Name

  • Ammonium, dibenzyl(5-dibenzylamino-2,4-pentadienylidene)-, chloride, sesquihydrate

Registry Numbers

CAS Registry Number

  • 63957-48-2

System Generated Number

  • 0063957482

Molecular Formulas

Molecular Formula

  • C33-H33-N2.Cl.3/2H2-O

Molecular Formula Fragments

  • C33-H33-N2
  • Cl
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C33H33N2.ClH/c1-6-16-30(17-7-1)26-34(27-31-18-8-2-9-19-31)24-14-5-15-25-35(28-32-20-10-3-11-21-32)29-33-22-12-4-13-23-33;/h1-25H,26-29H2;1H/q+1;/p-1

InChIKey

BJCWIQWIQDDOBQ-UHFFFAOYSA-M

Smiles

N(Cc1ccccc1)(Cc1ccccc1)\C=C\C=C\C=[N+](/Cc1ccccc1)Cc1ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.
mouse LD50 oral 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.