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Substance Name: s-Triazine, 2,4,6-tris(2'-(alpha-chlorotolyldiethylammonio)ethylamino)-, trichloride
RN: 63992-04-1
InChIKey: BIQUEINOVWAMFM-UHFFFAOYSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H63-Cl3-N9.3Cl

Molecular Weight

  • 906.741
 
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Names and Synonyms

Synonym

  • 2,4,6-Tris(2'-(alpha-chlorotolyldiethylammonio)ethylamino)-s-triazine trichloride

Systematic Name

  • s-Triazine, 2,4,6-tris(2'-(alpha-chlorotolyldiethylammonio)ethylamino)-, trichloride

Registry Numbers

CAS Registry Number

  • 63992-04-1

System Generated Number

  • 0063992041

Molecular Formulas

Molecular Formula

  • C42-H63-Cl3-N9.3Cl

Molecular Formula Fragments

  • C42-H63-Cl3-N9
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C42H63Cl3N9.3ClH/c1-7-52(8-2,37(43)34-22-16-13-17-23-34)31-28-46-40-49-41(47-29-32-53(9-3,10-4)38(44)35-24-18-14-19-25-35)51-42(50-40)48-30-33-54(11-5,12-6)39(45)36-26-20-15-21-27-36;;;/h13-27,37-39H,7-12,28-33H2,1-6H3,(H3,46,47,48,49,50,51);3*1H/q+3;;;/p-3

InChIKey

BIQUEINOVWAMFM-UHFFFAOYSA-K

Smiles

n1c(NCC[N+]([C@@H](c2ccccc2)Cl)(CC)CC)nc(NCC[N+]([C@@H](c2ccccc2)Cl)(CC)CC)nc1NCC[N+]([C@@H](c1ccccc1)Cl)(CC)CC.[ClH-].[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 6300ug/kg (6.3mg/kg)   Journal of Organic Chemistry. Vol. 19, Pg. 826, 1954.