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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(pyridinylmethyl)-, trichloride
RN: 132618-14-5
InChIKey: VBETWIYSZSRZTD-UHFFFAOYSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H60-N9-O3.3Cl

Molecular Weight

  • 809.322
 
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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(pyridinylmethyl)-, trichloride

Registry Numbers

CAS Registry Number

  • 132618-14-5

System Generated Number

  • 0132618145

Molecular Formulas

Molecular Formula

  • C39-H60-N9-O3.3Cl

Molecular Formula Fragments

  • C39-H60-N9-O3
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C39H60N9O3.3ClH/c1-7-32-17-15-22-42-35(32)29-44(9-3)24-25-45-37(49)47(12-6,28-27-46(10-4,11-5)31-36-33(8-2)18-16-23-43-36)39(51)48(26-20-40,38(45)50)30-34-19-13-14-21-41-34;;;/h13-19,21-23H,7-12,20,24-31,40H2,1-6H3;3*1H/q+3;;;/p-3

InChIKey

VBETWIYSZSRZTD-UHFFFAOYSA-K

Smiles

CCc1cccnc1CN(CC)CCN2C(=O)[N+](C(=O)[N+](C2=O)(CCN)Cc3ccccn3)(CC)CC[N+](CC)(CC)Cc4c(cccn4)CC.[Cl-].[Cl-].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 33500ug/kg (33.5mg/kg) BEHAVIORAL: MUSCLE WEAKNESS Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(12), Pg. 24, 1990.