N,n'-bis(2,4,6-trinitrophenyl)oxamide (CED0125034)

Record Information
Version1.0
Creation Date2026-08-19 08:13:30 UTC
Update Date2026-08-19 08:13:30 UTC
SynCED IDCED0125034
Secondary Accession Numbers
  • CHEM181862
Identification
Common NameN,n'-bis(2,4,6-trinitrophenyl)oxamide
ClassSmall Molecule
Description
N,n'-bis(2,4,6-trinitrophenyl)oxamide belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C14H6N8O14. With an average molecular weight of 510.24 g/mol, N,n'-bis(2,4,6-trinitrophenyl)oxamide is a heavy molecule.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC14H6N8O14
Average Molecular Mass510.240 g/mol
Monoisotopic Mass510.000 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C14H6N8O14/c23-13(15-11-7(19(29)30)1-5(17(25)26)2-8(11)20(31)32)14(24)16-12-9(21(33)34)3-6(18(27)28)4-10(12)22(35)36/h1-4H,(H,15,23)(H,16,24)
InChI KeyNKDXVHGJEHYZHY-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
603.0 Log mg/kg [340:1100]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructureNot Available
CEDs000736Fuses?Fuses are safety devices designed to protect electrical circuits by breaking the circuit when excessive current flows through.Electrical & Electronic EquipmentNot Available
CEDs000737Chemical Igniters?Chemical igniters are substances or devices designed to initiate combustion in various applications, often found in products like lighters, candles, and certain household cleaning agents.Household itemsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Thioredoxin reductase structureClick to view 3D structureThioredoxin reductaseP61076Plasmodium falciparum 3D7Predicted (SEA)
Prediction Confidence Score
0.395
Applicability Domain
0.395
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Click to view 3D structurePutative nitroreductaseQ4A0P1Staphylococcus saprophyticus subsp. saprophyticus (strain ATCC 15305 / DSM20229 / NCIMB 8711 / NCTC 7292 / S-41)Predicted (SEA)
Prediction Confidence Score
0.354
Applicability Domain
0.405
Statistical Significance
2.00e-05
Supporting Reference Compounds
2
E-value
0.155698
Endolysin structureClick to view 3D structureEndolysinP00720Enterobacteria phage T4Predicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.344
Statistical Significance
3.10e-04
Supporting Reference Compounds
1
E-value
2.41333
Catechol O-methyltransferase structureClick to view 3D structureCatechol O-methyltransferaseP22734Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.5
Statistical Significance
4.10e-04
Supporting Reference Compounds
15
E-value
3.19182
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.339
Statistical Significance
0.0044
Supporting Reference Compounds
117
E-value
34.1758
NH(3)-dependent NAD(+) synthetase structureClick to view 3D structureNH(3)-dependent NAD(+) synthetaseQ81RP3Bacillus anthracisPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.3
Statistical Significance
0.0019
Supporting Reference Compounds
1
E-value
14.9471
Salicylate synthetase, Irp9 structureClick to view 3D structureSalicylate synthetase, Irp9Q9X9I8Yersinia enterocoliticaPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.294 Low confidence
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.339
Statistical Significance
0.024
Supporting Reference Compounds
343
E-value
186.916
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.326
Statistical Significance
0.0115
Supporting Reference Compounds
205
E-value
89.2152
Click to view 3D structureModulator of drug activity AQ8X6S1Escherichia coli O157:H7Predicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.302
Statistical Significance
4.00e-05
Supporting Reference Compounds
2
E-value
0.311397
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.357
Statistical Significance
0.019
Supporting Reference Compounds
296
E-value
147.68
Genome polyprotein structureClick to view 3D structureGenome polyproteinP29990dengue virus type 2Predicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.357
Statistical Significance
0.0047
Supporting Reference Compounds
58
E-value
36.5113
Krueppel-like factor 10 structureClick to view 3D structureKrueppel-like factor 10Q13118HumansPredicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.283 Low confidence
Statistical Significance
6.30e-04
Supporting Reference Compounds
1
E-value
4.9045
Cystathionine beta-lyase MetC structureClick to view 3D structureCystathionine beta-lyase MetCP06721Escherichia coli K-12Predicted (SEA)
Prediction Confidence Score
0.283
Applicability Domain
0.283 Low confidence
Statistical Significance
6.30e-04
Supporting Reference Compounds
1
E-value
4.9045
Transthyretin structureClick to view 3D structureTransthyretinP02766HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.5
Statistical Significance
0.0057
Supporting Reference Compounds
55
E-value
44.7633
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.319
Statistical Significance
0.0762
Supporting Reference Compounds
472
E-value
593.445
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.327
Statistical Significance
0.0455
Supporting Reference Compounds
425
E-value
354.525
Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 structureClick to view 3D structureCarboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1Q9GZU7HumansPredicted (SEA)
Prediction Confidence Score
0.278
Applicability Domain
0.341
Statistical Significance
0.0156
Supporting Reference Compounds
128
E-value
121.6
Small ubiquitin-related modifier 1 structureClick to view 3D structureSmall ubiquitin-related modifier 1P63165HumansPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.341
Statistical Significance
0.01
Supporting Reference Compounds
95
E-value
77.9271
G-protein coupled receptor 35 structureClick to view 3D structureG-protein coupled receptor 35Q9HC97HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.295 Low confidence
Statistical Significance
0.0097
Supporting Reference Compounds
115
E-value
75.5916
Intracellular chorismate mutase structureClick to view 3D structureIntracellular chorismate mutaseP9WIC1Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.271 Low confidence
Statistical Significance
5.70e-04
Supporting Reference Compounds
1
E-value
4.43741
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.318
Statistical Significance
0.019
Supporting Reference Compounds
57
E-value
148.147
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.316
Statistical Significance
0.0334
Supporting Reference Compounds
166
E-value
260.406
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.319
Statistical Significance
0.0864
Supporting Reference Compounds
407
E-value
672.617
Sentrin-specific protease 7 structureClick to view 3D structureSentrin-specific protease 7Q9BQF6HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.295 Low confidence
Statistical Significance
0.0403
Supporting Reference Compounds
118
E-value
313.966
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available