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Substance Name: 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(phenylmethyl)-, tribromide
RN: 132684-40-3
InChIKey: OSJICJZTZZQMEI-UHFFFAOYSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H63-N6-O3.3Br

Molecular Weight

  • 939.7107
 
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Names and Synonyms

  • 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris(phenylmethyl)-, tribromide

Registry Numbers

CAS Registry Number

  • 132684-40-3

System Generated Number

  • 0132684403

Molecular Formulas

Molecular Formula

  • C42-H63-N6-O3.3Br

Molecular Formula Fragments

  • Br
  • C42-H63-N6-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C42H63N6O3.3BrH/c1-7-46(8-2,34-37-22-16-13-17-23-37)31-28-43-40(49)44(29-32-47(9-3,10-4)35-38-24-18-14-19-25-38)42(51)45(41(43)50)30-33-48(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

OSJICJZTZZQMEI-UHFFFAOYSA-K

Smiles

CC[N+](CC)(CCn1c(=O)n(c(=O)n(c1=O)CC[N+](CC)(CC)Cc2ccccc2)CC[N+](CC)(CC)Cc3ccccc3)Cc4ccccc4.[Br-].[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 10600ug/kg (10.6mg/kg) BEHAVIORAL: MUSCLE WEAKNESS Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(12), Pg. 24, 1990.
mouse LD50 intravenous 3400ug/kg (3.4mg/kg) BEHAVIORAL: MUSCLE WEAKNESS Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(12), Pg. 24, 1990.
rabbit LD50 intravenous 110mg/kg (110mg/kg) BEHAVIORAL: MUSCLE WEAKNESS Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(12), Pg. 24, 1990.