Diminazene (CED0006603)

Record Information
Version1.0
Creation Date2026-03-31 20:50:24 UTC
Update Date2026-08-19 05:46:52 UTC
Accession NumberCHEM057883
Identification
Common NameDiminazene
ClassSmall Molecule
Description
Diminazene is an organic compound with the formula C14H15N7 and an average molecular weight of 281.32 g/mol. Diminazene belongs to the phenylhydrazines, a subclass of benzene and substituted derivatives within the organic compounds. It is associated with one recorded source: healthcare, pharmaceuticals & veterinary products (Antibiotics), and its recorded exposure routes include oral and inhalation. The compound interacts with four recorded protein targets. These include the HTH-type transcriptional regulator QacR (qacR), mitochondrial Peroxiredoxin-5 (PRDX5), Serine protease 1 (PRSS1), and copper-containing diamine oxidase (AOC1).
Contaminant Type
  • Human Neurotoxin
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
4,4'-(1-Triazene-1,3-diyl)bis-benzenecarboximidamideChEBI
DiminazenoChEBI
DiminazenumChEBI
4,4' DiazoaminobenzamidineMeSH
4,4'-DiazoaminobenzamidineMeSH
Chemical FormulaC14H15N7
Average Molecular Mass281.323 g/mol
Monoisotopic Mass281.139 g/mol
CAS Registry Number536-71-0;31384-83-5
IUPAC Name4-[(2E)-3-(4-carbamimidoylphenyl)triaz-2-en-1-yl]benzene-1-carboximidamide
Traditional Namediminazene
SMILESNC(=N)C1=CC=C(NN=NC2=CC=C(C=C2)C(N)=N)C=C1
InChI IdentifierInChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20)
InChI KeyXNYZHCFCZNMTFY-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylhydrazines. Phenylhydrazines are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassPhenylhydrazines
Direct ParentPhenylhydrazines
Alternative Parents
Substituents
  • Phenylhydrazine
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Carboxylic acid amidine
  • Amidine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
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 Properties
PropertyValueSource
Water Solubility0.1 g/LALOGPS
logP1.09ALOGPS
logP1.76ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)18.96ChemAxon
pKa (Strongest Basic)12.07ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area136.49 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity108.73 m³·mol⁻¹ChemAxon
Polarizability30.17 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00ll-4890000000-6c6ad84e2572cc7692f1Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-10d8d7bd5eca683046e3Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00lr-0090000000-ec6e9a26bb2a81885bd7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0aou-6790000000-8dcb2c1177aba2e0da30Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-f6698f4e537d3940e231Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-e0a2df7789a71578f4daNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9180000000-b57eb56df82c720bb793Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-a80f9ec9bbc23b21675dNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-fe683c8ab4c9d471fe49Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4j-2930000000-b15de2da2b772d23f0e7Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-ce408b0303b4fbcc6907Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-0090000000-4319c4d4071b38cd5e51Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9600000000-48fa66eef26997fd95adNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
673.0Log mg/kg[380:1200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
306AntibioticsHealthcare, pharmaceuticals & veterinary productsNot Available
596AcaricidesAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
632ApparelTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Glandular kallikrein structureClick to view 3D structureGlandular kallikreinP00752Sus scrofaPredicted (SEA)6.46149
Angiotensin-converting enzyme 2 structureClick to view 3D structureAngiotensin-converting enzyme 2Q9BYF1HumansPredicted (SEA)185.904
Click to view 3D structureTransmembrane protease serine 6Q8IU80HumansPredicted (SEA)128.451
Protein S100-B structureClick to view 3D structureProtein S100-BP04271HumansPredicted (SEA)2.88042
Coagulation factor VII structureClick to view 3D structureCoagulation factor VIIP08709HumansPredicted (SEA)222.26
Diamine acetyltransferase 1 structureClick to view 3D structureDiamine acetyltransferase 1P21673HumansPredicted (SEA)0.0778492
Transmembrane protease serine 2 structureClick to view 3D structureTransmembrane protease serine 2O15393HumansPredicted (SEA)2.49118
Furin structureClick to view 3D structureFurinP09958HumansPredicted (SEA)21.7199
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)88.1253
Diamine oxidase [copper-containing] structureClick to view 3D structureDiamine oxidase [copper-containing]P19801HumansPredicted (SEA)0.0778492
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00742HumansPredicted (SEA)112.726
Suppressor of tumorigenicity 14 protein structureClick to view 3D structureSuppressor of tumorigenicity 14 proteinQ9Y5Y6HumansPredicted (SEA)62.7465
Acrosin structureClick to view 3D structureAcrosinP08001Sus scrofaPredicted (SEA)1.79053
Urokinase-type plasminogen activator structureClick to view 3D structureUrokinase-type plasminogen activatorP00749HumansPredicted (SEA)43.5956
Serine protease 1 structureClick to view 3D structureSerine protease 1P00760Bos taurusPredicted (SEA)83.7658
Kallikrein-1 structureClick to view 3D structureKallikrein-1P06870HumansPredicted (SEA)44.0627
Coagulation factor X structureClick to view 3D structureCoagulation factor XP00743Bos taurusPredicted (SEA)16.3483
Tissue-type plasminogen activator structureClick to view 3D structureTissue-type plasminogen activatorP00750HumansPredicted (SEA)61.423
Serine protease 1 structureClick to view 3D structureSerine protease 1P07477HumansPredicted (SEA)98.2457
Plasminogen structureClick to view 3D structurePlasminogenP00747HumansPredicted (SEA)214.163
Plasma kallikrein structureClick to view 3D structurePlasma kallikreinP03952HumansPredicted (SEA)259.627
Protein arginine N-methyltransferase 1 structureClick to view 3D structureProtein arginine N-methyltransferase 1Q99873HumansPredicted (SEA)36.1999
Prothrombin structureClick to view 3D structureProthrombinP00735Bos taurusPredicted (SEA)136.003
Solute carrier family 22 member 3 structureClick to view 3D structureSolute carrier family 22 member 3O75751HumansPredicted (SEA)2.17978
Serine protease hepsin structureClick to view 3D structureSerine protease hepsinP05981HumansPredicted (SEA)105.252
Concentrations
Not Available
External Links
DrugBank IDDB03608
HMDB IDHMDB0251412
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkDiminazen
Chemspider ID2264
ChEBI ID81724
PubChem Compound ID2354
Kegg Compound IDC18388
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=24533295
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=7902657