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Substance Name: 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexamethyl-2,4,6-trioxo-N,N',N''-tris((3-methylphenyl)methyl)-, tribromide
RN: 132684-41-4
InChIKey: RWAFJRAJSDOUBB-UHFFFAOYSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H57-N6-O3.3Br

Molecular Weight

  • 897.6303
 
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Names and Synonyms

  • 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexamethyl-2,4,6-trioxo-N,N',N''-tris((3-methylphenyl)methyl)-, tribromide

Registry Numbers

CAS Registry Number

  • 132684-41-4

System Generated Number

  • 0132684414

Molecular Formulas

Molecular Formula

  • C39-H57-N6-O3.3Br

Molecular Formula Fragments

  • Br
  • C39-H57-N6-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C39H57N6O3.3BrH/c1-31-15-14-18-34(27-31)28-43(4,5)24-21-40-37(46)41(22-25-44(6,7)29-35-19-12-10-16-32(35)2)39(48)42(38(40)47)23-26-45(8,9)30-36-20-13-11-17-33(36)3;;;/h10-20,27H,21-26,28-30H2,1-9H3;3*1H/q+3;;;/p-3

InChIKey

RWAFJRAJSDOUBB-UHFFFAOYSA-K

Smiles

Cc1cccc(c1)C[N+](C)(C)CCn2c(=O)n(c(=O)n(c2=O)CC[N+](C)(C)Cc3ccccc3C)CC[N+](C)(C)Cc4ccccc4C.[Br-].[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 41mg/kg (41mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

BEHAVIORAL: MUSCLE WEAKNESS
Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(12), Pg. 24, 1990.