(7-hydroxy-6-nitro-1-oxo-3,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-ylidene)-dioxidoazanium (CED0311068)

Record Information
Version1.0
Creation Date2026-09-01 09:33:49 UTC
Update Date2026-09-01 09:33:49 UTC
SynCED IDCED0311068
Secondary Accession Numbers
  • CHEM356813
Identification
Common Name(7-hydroxy-6-nitro-1-oxo-3,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-ylidene)-dioxidoazanium
ClassSmall Molecule
Description
(7-hydroxy-6-nitro-1-oxo-3,7-dihydro-2,1,3-benzoxadiazol-1-ium-4-ylidene)-dioxidoazanium is a chemical compound with the formula C6H4N4O7 and an average molecular weight of 244.12 g/mol. This substance has been found in or released from one recorded source: electrical and electronic equipment, specifically electric switches.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H4N4O7
Average Molecular MassNot Available
Monoisotopic Mass244.008 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1=C(C(C2=C(C1=[N+]([O-])[O-])NO[N+]2=O)O)[N+](=O)[O-]
InChI IdentifierInChI=1S/C6H4N4O7/c11-6-3(9(14)15)1-2(8(12)13)4-5(6)10(16)17-7-4/h1,6-7,11H
InChI KeyWXYVKVUGTYSSMH-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
232.0 Log mg/kg [130:410]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 EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000517Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.Electrical & Electronic EquipmentPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Endolysin structureClick to view 3D structureEndolysinP00720Enterobacteria phage T4Predicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.227 Low confidence
Statistical Significance
0.0054
Supporting Reference Compounds
1
E-value
42.2721
Click to view 3D structureP2Y purinoceptor 6Q15077HumansPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.224 Low confidence
Statistical Significance
0.0133
Supporting Reference Compounds
38
E-value
103.306
D(1B) dopamine receptor structureClick to view 3D structureD(1B) dopamine receptorP21918HumansPredicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.22 Low confidence
Statistical Significance
0.4406
Supporting Reference Compounds
209
E-value
3429.8
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.193
Applicability Domain
0.206 Low confidence
Statistical Significance
0.787
Supporting Reference Compounds
487
E-value
6126.58
Click to view 3D structureEstrogen sulfotransferaseQ95MF8Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.191
Applicability Domain
0.191 Low confidence
Statistical Significance
0.0094
Supporting Reference Compounds
1
E-value
72.9447
SH3 and multiple ankyrin repeat domains protein 3 structureClick to view 3D structureSH3 and multiple ankyrin repeat domains protein 3Q4ACU6Mus musculusPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.188 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
1
E-value
8.32987
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)
Prediction Confidence Score
0.182
Applicability Domain
0.206 Low confidence
Statistical Significance
0.8193
Supporting Reference Compounds
340
E-value
6378.03
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.171
Applicability Domain
0.197 Low confidence
Statistical Significance
0.9513
Supporting Reference Compounds
562
E-value
7405.64
Click to view 3D structureLong-chain fatty acid transport protein 4Q6P1M0HumansPredicted (SEA)
Prediction Confidence Score
0.17
Applicability Domain
0.174 Low confidence
Statistical Significance
0.0221
Supporting Reference Compounds
2
E-value
171.969
Click to view 3D structureCatechol O-methyltransferaseQ99028Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.17
Applicability Domain
0.17 Low confidence
Statistical Significance
0.0067
Supporting Reference Compounds
2
E-value
52.159
Click to view 3D structureMultifunctional protein ADE2P38024Gallus gallusPredicted (SEA)
Prediction Confidence Score
0.169
Applicability Domain
0.169 Low confidence
Statistical Significance
0.011
Supporting Reference Compounds
1
E-value
85.7898
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)
Prediction Confidence Score
0.169
Applicability Domain
0.179 Low confidence
Statistical Significance
0.8041
Supporting Reference Compounds
205
E-value
6260.17
Salicylate synthetase, Irp9 structureClick to view 3D structureSalicylate synthetase, Irp9Q9X9I8Yersinia enterocoliticaPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.167 Low confidence
Statistical Significance
0.0137
Supporting Reference Compounds
1
E-value
106.653
Cystathionine beta-lyase MetC structureClick to view 3D structureCystathionine beta-lyase MetCP06721Escherichia coli K-12Predicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.167 Low confidence
Statistical Significance
0.0461
Supporting Reference Compounds
1
E-value
358.963
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.165
Applicability Domain
0.175 Low confidence
Statistical Significance
0.9356
Supporting Reference Compounds
425
E-value
7283.96
Genome polyprotein structureClick to view 3D structureGenome polyproteinP03300Poliovirus type 1 (strain Mahoney)Predicted (SEA)
Prediction Confidence Score
0.165
Applicability Domain
0.165 Low confidence
Statistical Significance
0.0095
Supporting Reference Compounds
1
E-value
74.0346
Toll-like receptor 9 structureClick to view 3D structureToll-like receptor 9Q9NR96HumansPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.169 Low confidence
Statistical Significance
0.8019
Supporting Reference Compounds
111
E-value
6242.88
Catechol O-methyltransferase structureClick to view 3D structureCatechol O-methyltransferaseP22734Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.18 Low confidence
Statistical Significance
0.0566
Supporting Reference Compounds
15
E-value
440.471
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.206 Low confidence
Statistical Significance
0.9593
Supporting Reference Compounds
386
E-value
7468.31
Catechol O-methyltransferase structureClick to view 3D structureCatechol O-methyltransferaseO88587Mus musculusPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.162 Low confidence
Statistical Significance
0.01
Supporting Reference Compounds
1
E-value
77.5378
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.169 Low confidence
Statistical Significance
0.9031
Supporting Reference Compounds
296
E-value
7030.41
Click to view 3D structureBeta LactamaseQ932Y6Pseudomonas aeruginosaPredicted (SEA)
Prediction Confidence Score
0.161
Applicability Domain
0.169 Low confidence
Statistical Significance
0.7547
Supporting Reference Compounds
91
E-value
5875.51
Click to view 3D structureP2Y purinoceptor 6Q9ERK9Mus musculusPredicted (SEA)
Prediction Confidence Score
0.16
Applicability Domain
0.186 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
3
E-value
9.18621
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)
Prediction Confidence Score
0.16
Applicability Domain
0.169 Low confidence
Statistical Significance
0.8637
Supporting Reference Compounds
117
E-value
6723.92
Large T antigen structureClick to view 3D structureLarge T antigenP03070Simian virus 40Predicted (SEA)
Prediction Confidence Score
0.16
Applicability Domain
0.188 Low confidence
Statistical Significance
0.5393
Supporting Reference Compounds
78
E-value
4198.49
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available