Guanylurea (CED0014750)

Record Information
Version1.0
Creation Date2016-05-25 03:17:32 UTC
Update Date2026-08-22 09:56:35 UTC
SynCED IDCED0014750
Secondary Accession Numbers
  • CHEM021248
Identification
Common NameGuanylurea
ClassSmall Molecule
Description
Guanylurea is an organic compound with the chemical formula C2H6N4O and an average molecular weight of 102.10 g/mol. Guanylurea belongs to the organic carbonic acids and derivatives, a class of organic acids and derivatives within the organic compounds. This substance is found in or released from nine recorded sources across several diverse sectors. Within the realm of electrical and electronic equipment, it is associated with conductors or conductive bodies characterized by the conductive materials, cores yokes or armatures, electric switches, electrodes, fixed capacitors and their manufacture, as well as one additional source. In the building and construction industry, it is linked to tents or canopies. Additionally, guanylurea is found in food preservation within the food, food processing and cookware sector. It is also present in household cleaning and consumer products, specifically within perfumes used in detergents and soaps.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
Guanidine carboxamide, monohydroiodideMeSH
Guanidine carboxamideMeSH
AmidinoureaMeSH
Guanidine carboxamide, monohydrochlorideMeSH
Guanidine carboxamide, sulfate (1:1)MeSH
Guanidine carboxamide phosphateMeSH
Guanidine carboxamide, monohydrobromideMeSH
Guanidine carboxamide, sulfate (2:1)MeSH
Chemical FormulaC2H6N4O
Average Molecular Mass102.097 g/mol
Monoisotopic Mass102.054 g/mol
CAS Registry Number141-83-3
IUPAC NameN-carbamimidoylcarbamimidic acid
Traditional NameN-carbamimidoylcarbamimidic acid
SMILESNC(=N)NC(O)=N
InChI IdentifierInChI=1S/C2H6N4O/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
InChI KeySQSPRWMERUQXNE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as organic carbonic acids and derivatives. Organic carbonic acids and derivatives are compounds comprising the organic carbonic acid or a derivative thereof.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic carbonic acids and derivatives
Sub ClassNot Available
Direct ParentOrganic carbonic acids and derivatives
Alternative Parents
Substituents
  • Carbonic acid derivative
  • Guanidine
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Imine
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological Roles
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 Solubility1.57 g/LALOGPS
logP-1.8ALOGPS
logP-2.4ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)-4.6ChemAxon
pKa (Strongest Basic)15ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area105.98 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity44.92 m³·mol⁻¹ChemAxon
Polarizability8.91 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ik9-9500000000-719a2e6ad42558b8c750Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-9000000000-e7fafd24414f41c0334bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-03di-9000000000-4b3313b0ce82b45d4840Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9000000000-5e6a0241d1d392dc724fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a4i-9000000000-69c9eb4c65afd924ef98Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-4641d9cabb7f6e113215Not AvailableView Spectrum
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
1494.0 Log mg/kg [840:2700]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
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementPubChem
CEDs000051Surface water?Surface water can serve as a significant vector for the introduction of synthetic chemical contaminants into aquatic ecosystems.Aquatic systems & sedimentsPMC7304871 , PMC7304871
CEDs000479Effluent?Effluent refers to liquid waste or sewage that is discharged into the environment, typically resulting from industrial processes, municipal wastewater treatment, or agricultural runoff.Wastewater, sanitation & biosolidsPMC9878729
CEDs000503Tents Or Canopies?Tents and canopies used in various applications can be a source of synthetic chemical contamination primarily due to the materials from which they are made.Building & ConstructionPubChem
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentPubChem
CEDs000513Cores Yokes Or Armatures?Cores, yokes, or armatures are components commonly found in electrical devices, used to facilitate the magnetic and electrical functions within motors, transformers, and generators.Electrical & Electronic EquipmentPubChem
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
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
CEDs000521Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.Electrical & Electronic EquipmentPubChem
CEDs000538Thin Magnetic Films?Thin magnetic films are layers of magnetic material ranging from a few nanometers to several micrometers in thickness, commonly used in applications such as magnetic sensors, data storage devices, and electronic components.Electrical & Electronic EquipmentPubChem
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsPubChem
CEDs000579Manufacture Of Iron Or Steel?The manufacture of iron or steel involves various processes, including smelting, refining, and alloying, which can result in the release of synthetic chemicals and contaminants.Industrial manufacturing & chemical processingPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000619Manicure Pedicure?Manicure and pedicure procedures often involve the use of various synthetic chemicals, including solvents, nail polishes, and nail adhesives.Personal care & cosmeticsPubChem
CEDs000632Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.Textiles, leather & furnishingsPubChem
CEDs000638Decorating Textiles?Decorating textiles often involves the use of synthetic chemicals such as dyes, finishes, and coatings.Textiles, leather & furnishingsPubChem
CEDs000653Sewing?Sewing processes often involve the use of various synthetic chemicals, which can become sources of contamination in the environment.Textiles, leather & furnishingsPubChem
CEDs000657Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.Textiles, leather & furnishingsPubChem
CEDs000659Transfer Printing?Transfer printing is a process used to apply designs and patterns onto various substrates, commonly utilizing synthetic dyes and inks that can contain hazardous chemicals.Textiles, leather & furnishingsPubChem
CEDs000662Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.Textiles, leather & furnishingsPubChem
CEDs000665Fire Extinguishers?Fire extinguishers contain various synthetic chemicals designed to suppress flames and prevent the spread of fire.Fire suppression systems & agentsPubChem
CEDs000670Solid Fire Fighting Substances?Solid fire fighting substances, such as certain types of dry chemical powders, are used in fire suppression applications to extinguish flames and prevent fire spread.Fire suppression systems & agentsPubChem
CEDs000678Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.Agriculture & land managementPubChem
CEDs000679Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.Agriculture & land managementPubChem
CEDs000684Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.Building & ConstructionPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000686Clay Wares?Clay wares are ceramic products made from natural clay, often utilized in various construction applications such as tiles, bricks, and sanitary ware.Building & ConstructionPubChem
CEDs000688Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
CEDs000734Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.Building & ConstructionPubChem
CEDs000735Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.Defense & military infrastructurePubChem
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 itemsPubChem
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000742Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.Textiles, leather & furnishingsPubChem
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
CEDs02264SedimentAquatic systems & sedimentsPMC7304871
CEDs02276Aquatic EnvironmentAquatic systems & sedimentsPMC8208167 , PMC8208167
CEDs02294Pore WaterAquatic systems & sedimentsPMC7304871 , PMC7304871
CEDs02308Surface Water SamplesAquatic systems & sedimentsPMC10114791
CEDs02362Coastal WatersAquatic systems & sedimentsPMC8208167
CEDs02510Llobregat RiverAquatic systems & sedimentsPMC11502600
CEDs02539Bes s RiverAquatic systems & sedimentsPMC11502600
CEDs03009Waste WaterWastewater, sanitation & biosolidsPMC9063927 , PMC12424012
CEDs03032Wastewater Treatment Plant EffluentWastewater, sanitation & biosolidsPMC8208167
CEDs03043WWTPsWastewater, sanitation & biosolidsPMC7304871
CEDs03077Wastewater Treatment SystemsWastewater, sanitation & biosolidsPMC8208167
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.273 Low confidence
Statistical Significance
0.6221
Supporting Reference Compounds
487
E-value
4843.08
Nitric oxide synthase 1 structureClick to view 3D structureNitric oxide synthase 1P29476Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.438
Statistical Significance
0.0462
Supporting Reference Compounds
49
E-value
360.053
Nitric oxide synthase 1 structureClick to view 3D structureNitric oxide synthase 1P29475HumansPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.438
Statistical Significance
0.0722
Supporting Reference Compounds
65
E-value
562.461
Protein S100-B structureClick to view 3D structureProtein S100-BP04271HumansPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.238 Low confidence
Statistical Significance
0.006
Supporting Reference Compounds
2
E-value
46.3981
Click to view 3D structureSodium/hydrogen exchanger 1P23791Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.196 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
1
E-value
11.4438
Click to view 3D structureSodium/hydrogen exchangerQ9W6Q1Amphiuma tridactylumPredicted (SEA)
Prediction Confidence Score
0.196
Applicability Domain
0.196 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
1
E-value
11.4438
Urokinase-type plasminogen activator structureClick to view 3D structureUrokinase-type plasminogen activatorP06869Mus musculusPredicted (SEA)
Prediction Confidence Score
0.191
Applicability Domain
0.273 Low confidence
Statistical Significance
0.0145
Supporting Reference Compounds
9
E-value
112.648
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.191
Applicability Domain
0.273 Low confidence
Statistical Significance
0.889
Supporting Reference Compounds
955
E-value
6921.11
Solute carrier family 22 member 1 structureClick to view 3D structureSolute carrier family 22 member 1O15245HumansPredicted (SEA)
Prediction Confidence Score
0.19
Applicability Domain
0.259 Low confidence
Statistical Significance
0.0742
Supporting Reference Compounds
30
E-value
578.03
Protein phosphatase 1 regulatory subunit 15A structureClick to view 3D structureProtein phosphatase 1 regulatory subunit 15AO75807HumansPredicted (SEA)
Prediction Confidence Score
0.189
Applicability Domain
0.189 Low confidence
Statistical Significance
0.0048
Supporting Reference Compounds
1
E-value
37.4455
Protein phosphatase 1 regulatory subunit 15B structureClick to view 3D structureProtein phosphatase 1 regulatory subunit 15BQ5SWA1HumansPredicted (SEA)
Prediction Confidence Score
0.189
Applicability Domain
0.189 Low confidence
Statistical Significance
0.0048
Supporting Reference Compounds
1
E-value
37.4455
Click to view 3D structureDeoxyhypusine synthaseQ9GSW0Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.269 Low confidence
Statistical Significance
6.90e-04
Supporting Reference Compounds
1
E-value
5.3716
Nitric oxide synthase, inducible structureClick to view 3D structureNitric oxide synthase, inducibleP35228HumansPredicted (SEA)
Prediction Confidence Score
0.242
Applicability Domain
0.438
Statistical Significance
0.0052
Supporting Reference Compounds
47
E-value
40.1702
Click to view 3D structureSodium/hydrogen exchanger 2P50482Oryctolagus cuniculusPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.273 Low confidence
Statistical Significance
1.70e-04
Supporting Reference Compounds
2
E-value
1.32344
Isopentenyl-diphosphate Delta-isomerase structureClick to view 3D structureIsopentenyl-diphosphate Delta-isomeraseQ46822Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.226
Applicability Domain
0.226 Low confidence
Statistical Significance
2.70e-04
Supporting Reference Compounds
1
E-value
2.10193
Click to view 3D structureDeoxyhypusine synthaseQ6AY53Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.28 Low confidence
Statistical Significance
6.50e-04
Supporting Reference Compounds
3
E-value
5.0602
Urokinase-type plasminogen activator structureClick to view 3D structureUrokinase-type plasminogen activatorP00749HumansPredicted (SEA)
Prediction Confidence Score
0.223
Applicability Domain
0.273 Low confidence
Statistical Significance
0.1598
Supporting Reference Compounds
151
E-value
1243.95
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P48029HumansPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.222 Low confidence
Statistical Significance
2.70e-04
Supporting Reference Compounds
1
E-value
2.10193
Click to view 3D structureSodium/hydrogen exchanger 1P26431Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.217
Applicability Domain
0.273 Low confidence
Statistical Significance
3.90e-04
Supporting Reference Compounds
10
E-value
3.03612
Nitric oxide synthase, inducible structureClick to view 3D structureNitric oxide synthase, inducibleP29477Mus musculusPredicted (SEA)
Prediction Confidence Score
0.215
Applicability Domain
0.438
Statistical Significance
0.0261
Supporting Reference Compounds
47
E-value
203.109
Click to view 3D structureSodium/hydrogen exchanger 2P48763Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.231 Low confidence
Statistical Significance
3.00e-04
Supporting Reference Compounds
2
E-value
2.33548
Prothrombin structureClick to view 3D structureProthrombinP00734HumansPredicted (SEA)
Prediction Confidence Score
0.208
Applicability Domain
0.261 Low confidence
Statistical Significance
0.4699
Supporting Reference Compounds
331
E-value
3658.21
Sodium/hydrogen exchanger 1 structureClick to view 3D structureSodium/hydrogen exchanger 1P19634HumansPredicted (SEA)
Prediction Confidence Score
0.208
Applicability Domain
0.231 Low confidence
Statistical Significance
0.051
Supporting Reference Compounds
21
E-value
397.109
Polyamine oxidase 1 structureClick to view 3D structurePolyamine oxidase 1O64411Zea maysPredicted (SEA)
Prediction Confidence Score
0.208
Applicability Domain
0.28 Low confidence
Statistical Significance
0.001
Supporting Reference Compounds
2
E-value
8.17417
Solute carrier family 22 member 3 structureClick to view 3D structureSolute carrier family 22 member 3O75751HumansPredicted (SEA)
Prediction Confidence Score
0.206
Applicability Domain
0.259 Low confidence
Statistical Significance
0.005
Supporting Reference Compounds
17
E-value
38.6911
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID8859
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available