Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

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((2,4-dimethylphenyl)methyl)-, trichloride
RN: 132684-42-5
InChIKey: HTJGSPLJEIHBHH-UHFFFAOYSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H63-N6-O3.3Cl

Molecular Weight

  • 939.7107
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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((2,4-dimethylphenyl)methyl)-, trichloride

Registry Numbers

CAS Registry Number

  • 132684-42-5

System Generated Number

  • 0132684425

Molecular Formulas

Molecular Formula

  • C42-H63-N6-O3.3Cl

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

HTJGSPLJEIHBHH-UHFFFAOYSA-K

Smiles

Cc1ccc(c(c1)C[N+](C)(C)CCn2c(=O)n(c(=O)n(c2=O)CC[N+](C)(C)Cc3cccc(c3C)C)CC[N+](C)(C)Cc4ccc(c(c4)C)C)C.[Br-].[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 32mg/kg (32mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

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