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Substance Name: Benzenemethanaminium, N,N',N''-(1,3,5-triazine-2,4,6-triyltris(oxy-2,1-ethanediyl))tris(N,N-diethyl-, trichloride
RN: 132684-37-8
InChIKey: RCEVCKTZAWQQRP-UHFFFAOYSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H63-N6-O3.3Cl

Molecular Weight

  • 806.3577
 
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Names and Synonyms

Synonym

  • Tris(beta-diethylbenzylamminio)ethyl cyanurate trichloride

Systematic Name

  • Benzenemethanaminium, N,N',N''-(1,3,5-triazine-2,4,6-triyltris(oxy-2,1-ethanediyl))tris(N,N-diethyl-, trichloride

Registry Numbers

CAS Registry Number

  • 132684-37-8

System Generated Number

  • 0132684378

Molecular Formulas

Molecular Formula

  • C42-H63-N6-O3.3Cl

Molecular Formula Fragments

  • C42-H63-N6-O3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C42H63N6O3.3ClH/c1-7-46(8-2,34-37-22-16-13-17-23-37)28-31-49-40-43-41(50-32-29-47(9-3,10-4)35-38-24-18-14-19-25-38)45-42(44-40)51-33-30-48(11-5,12-6)36-39-26-20-15-21-27-39;;;/h13-27H,7-12,28-36H2,1-6H3;3*1H/q+3;;;/p-3

InChIKey

RCEVCKTZAWQQRP-UHFFFAOYSA-K

Smiles

CC[N+](CC)(CCOc1nc(nc(n1)OCC[N+](CC)(CC)Cc2ccccc2)OCC[N+](CC)(CC)Cc3ccccc3)Cc4ccccc4.[Cl-].[Cl-].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 14400ug/kg (14.4mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(12), Pg. 24, 1990.