N'-(1,3-Dimethylbutylidene)-3-hydroxy-2-naphthohydrazide (CED0188451)

Record Information
Version1.0
Creation Date2026-04-05 16:53:17 UTC
Update Date2026-08-29 01:55:56 UTC
Accession NumberCHEM104684
Identification
Common NameN'-(1,3-Dimethylbutylidene)-3-hydroxy-2-naphthohydrazide
ClassSmall Molecule
Description
N'-(1,3-Dimethylbutylidene)-3-hydroxy-2-naphthohydrazide is an organic compound with the formula C17H20N2O2 and an average molecular weight of 284.36 g/mol. N'-(1,3-Dimethylbutylidene)-3-hydroxy-2-naphthohydrazide belongs to the naphthalenecarboxylic acids and derivatives, a subclass of naphthalenes within the organic compounds. The compound is found in or released from 19 recorded sources across multiple sectors. Within aquatic systems and sediments, it is detected in groundwater, surface water, seawater, and freshwater. It is present in drinking water and water supply sources, including drinking water, tap water, bottled water, and desalinated water. In the sector of wastewater, sanitation, and biosolids, it is found in industrial wastewater, wastewater treatment effluent, mine wastewater, and unspecified wastewater. Additionally, it is associated with appliances, HVAC, and refrigerants, specifically water coolers and water heaters. In the marine, shipping, and aquaculture sector, it is found in ballast water and bilge water, while in agriculture and land management, it is recorded in irrigation water. Two other sectors also serve as sources for the compound. Recorded exposure routes for this substance include inhalation, oral, and touch.
Contaminant Type
  • PMT
Chemical Structure
SynonymsNot Available
Chemical FormulaC17H20N2O2
Average Molecular Mass284.359 g/mol
Monoisotopic Mass284.152 g/mol
CAS Registry Number214417-91-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)CC(C)=NNC(=O)C1=CC2=CC=CC=C2C=C1O
InChI IdentifierInChI=1S/C17H20N2O2/c1-11(2)8-12(3)18-19-17(21)15-9-13-6-4-5-7-14(13)10-16(15)20/h4-7,9-11,20H,8H2,1-3H3,(H,19,21)
InChI KeyHPTJCEPNQHYWIH-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
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
2787.0Log mg/kg[1600:5000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
3Irrigation waterAgriculture & land managementNot Available
27Water CoolersAppliances, HVAC & refrigerantsNot Available
43Water heatersAppliances, HVAC & refrigerantsNot Available
50GroundwaterAquatic systems & sedimentsNot Available
51Surface waterAquatic systems & sedimentsNot Available
52SeawaterAquatic systems & sedimentsNot Available
53FreshwaterAquatic systems & sedimentsNot Available
70Stormwater runoffAutomotive & urban infrastructureNot Available
88Waterproofing spraysBuilding & ConstructionNot Available
115Drinking waterDrinking water & water supplyNot Available
116Tap waterDrinking water & water supplyNot Available
117Bottled waterDrinking water & water supplyNot Available
118Desalinated waterDrinking water & water supplyNot Available
181Ballast waterMarine, shipping & aquacultureNot Available
182Bilge waterMarine, shipping & aquacultureNot Available
468Industrial wastewaterWastewater, sanitation & biosolidsNot Available
470Wastewater treatment effluentWastewater, sanitation & biosolidsNot Available
475Mine wastewaterWastewater, sanitation & biosolidsNot Available
477Wastewater, unspecifiedWastewater, sanitation & biosolidsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structurePyruvate kinaseQ6GG09Staphylococcus aureus (strain MRSA252)Predicted (SEA)0.233548
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)14.2464
Induced myeloid leukemia cell differentiation protein Mcl-1 structureClick to view 3D structureInduced myeloid leukemia cell differentiation protein Mcl-1Q07820HumansPredicted (SEA)54.0274
Click to view 3D structureNonstructural protein 1Q194T2Influenza A virusPredicted (SEA)9.26406
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)21.175
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)332.572
N-glycosylase/DNA lyase structureClick to view 3D structureN-glycosylase/DNA lyaseO15527HumansPredicted (SEA)0.0778492
Click to view 3D structureLL-diaminopimelate aminotransferase, chloroplasticQ93ZN9Arabidopsis thalianaPredicted (SEA)10.3539
Cysteine protease ATG4B structureClick to view 3D structureCysteine protease ATG4BQ9Y4P1HumansPredicted (SEA)13.3122
Type-1 angiotensin II receptor structureClick to view 3D structureType-1 angiotensin II receptorP30556HumansPredicted (SEA)192.054
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)147.446
NAD-dependent protein deacetylase sirtuin-1 structureClick to view 3D structureNAD-dependent protein deacetylase sirtuin-1Q96EB6HumansPredicted (SEA)17.049
Nuclear receptor coactivator 3 structureClick to view 3D structureNuclear receptor coactivator 3Q9Y6Q9HumansPredicted (SEA)11.5217
Phospholipase A2 structureClick to view 3D structurePhospholipase A2P04054HumansPredicted (SEA)24.6782
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)190.964
Nuclear receptor coactivator 1 structureClick to view 3D structureNuclear receptor coactivator 1Q15788HumansPredicted (SEA)4.82665
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)134.446
Click to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)339.189
Click to view 3D structureTranscription factor SOX-18P43680Mus musculusPredicted (SEA)22.187
Click to view 3D structureTranscription factor SOX-18P35713HumansPredicted (SEA)22.187
Alpha-ketoglutarate-dependent dioxygenase FTO structureClick to view 3D structureAlpha-ketoglutarate-dependent dioxygenase FTOQ9C0B1HumansPredicted (SEA)44.0627
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)238.919
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)962.528
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)936.37
Click to view 3D structureUreaseQ0PXQ5Helicobacter pyloriPredicted (SEA)11.7552
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available