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''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide
RN: 132684-44-7
InChIKey: GIEFYCPENOHSTJ-UHFFFAOYSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C42-H60-N9-O9.3Br

Molecular Weight

  • 1074.702
 
* 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''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide

Registry Numbers

CAS Registry Number

  • 132684-44-7

System Generated Number

  • 0132684447

Molecular Formulas

Molecular Formula

  • C42-H60-N9-O9.3Br

Molecular Formula Fragments

  • Br
  • C42-H60-N9-O9
  • COMPONENT

Structure Descriptors

InChI

1S/C42H60N9O9.3BrH/c1-7-49(8-2,31-34-16-20-37(21-17-34)46(55)56)27-24-43-40(52)44(25-28-50(9-3,10-4)32-35-18-22-38(23-19-35)47(57)58)42(54)45(41(43)53)26-29-51(11-5,12-6)33-36-14-13-15-39(30-36)48(59)60;;;/h13-23,30H,7-12,24-29,31-33H2,1-6H3;3*1H/q+3;;;/p-3

InChIKey

GIEFYCPENOHSTJ-UHFFFAOYSA-K

Smiles

CC[N+](CC)(CCn1c(=O)n(c(=O)n(c1=O)CC[N+](CC)(CC)Cc2cccc(c2)[N+](=O)[O-])CC[N+](CC)(CC)Cc3ccc(cc3)[N+](=O)[O-])Cc4ccc(cc4)[N+](=O)[O-].[Br-].[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 11400ug/kg (11.4mg/kg) BEHAVIORAL: MUSCLE WEAKNESS Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(12), Pg. 24, 1990.