Salicylamide (CED0006240)

Record Information
Version1.0
Creation Date2016-05-22 03:33:25 UTC
Update Date2026-08-24 07:31:31 UTC
Accession NumberCHEM016478
Identification
Common NameSalicylamide
ClassSmall Molecule
Description
Salicylamide is an organic compound with the chemical formula C7H7NO2 and an average molecular weight of 137.14 g/mol. Salicylamide belongs to the 1-hydroxy-4-unsubstituted benzenoids, a subclass of phenols within the organic compounds. It is categorized as a benzenoid superclass. The compound is utilized industrially for pharmaceutical purposes. It is specifically used as an analgesic in healthcare, pharmaceuticals, and veterinary products. Salicylamide is found in or released from 39 recorded sources. Within electrical and electronic equipment, it is associated with antennas, amplifiers, auxiliary devices, coils, and communication cables or conductors, among 18 other sources. In the category of household cleaning and consumer products, it is found in soap detergents, bleaching agents, perfumes within detergents and soaps, tobacco pipes, and non electric simulated smoking devices, among two other sources. Its presence in food, food processing, and cookware includes the processing of meats and fish, food preservation, the preparation of wine or sparkling wine, and fermentation processes for beer. Additionally, it is recorded in building and construction materials such as ladders and ceilings, as well as in drinking water. Exposure routes for salicylamide include oral, respiratory, topical, and ophthalmic pathways.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
2-CarbamoylphenolChEBI
2-CarboxamidophenolChEBI
2-HydroxybenzamideChEBI
O-HydroxybenzamideChEBI
OHBChEBI
SalicilamidaChEBI
SalicylamidumChEBI
Salicylic acid amideChEBI
Salicylate amideGenerator
Salicylamide sulfateHMDB
Salicylamide, 3H-labeledHMDB
Salicylamide, monosodium saltHMDB
Salicylamide, calcium (2:1) saltHMDB
Salicylamide sodiumHMDB
Chemical FormulaC7H7NO2
Average Molecular Mass137.136 g/mol
Monoisotopic Mass137.048 g/mol
CAS Registry Number65-45-2
IUPAC Name2-hydroxybenzamide
Traditional Namesalicylamide
SMILESNC(=O)C1=CC=CC=C1O
InChI IdentifierInChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)
InChI KeySKZKKFZAGNVIMN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenols
Sub Class1-hydroxy-4-unsubstituted benzenoids
Direct Parent1-hydroxy-4-unsubstituted benzenoids
Alternative Parents
Substituents
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Monocyclic benzene moiety
  • Carboximidic acid derivative
  • Carboximidic acid
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • 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 Solubility7.82 g/LALOGPS
logP0.74ALOGPS
logP1.17ChemAxon
logS-1.2ALOGPS
pKa (Strongest Acidic)8.21ChemAxon
pKa (Strongest Basic)-1.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity37.12 m³·mol⁻¹ChemAxon
Polarizability13.22 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-00du-4900000000-f5a22e5a4fb556796bd9Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00du-8900000000-701c75263149bd35390bNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00du-4900000000-f5a22e5a4fb556796bd9Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-00du-8900000000-701c75263149bd35390bNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00dr-5900000000-34487b27347166b47c91Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00dl-7910000000-4ceac10899bc2bd84993Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-1900000000-132217380eb9a2784eb0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-5900000000-3514f0541f3795f71dbfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-0900000000-1332c56ba9ac3ef8d855Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-9100000000-e954a1393b3fa6e55e25Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-7f2d4c95dfd91bbee7f2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-9000000000-0badfa3dbe56d85736f7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00ku-2900000000-7255c4dc6adcdac743f0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0079-0900000000-9644e91722b6cf633110Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00ku-2900000000-c7ad1b72adf39d15c9c5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-6900000000-7f24ecf80bd35bb96d6aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dr-0900000000-bc7caaa9243e4e46391bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-1388f0ca51c4e75f6b42Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-9100000000-df32b49e057b6a5edd97Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-9651135645968dce9b22Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-9000000000-07578727695a08ce800bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-9200000000-f09400063d3927823895Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-8040399ca8ae40e84474Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0900000000-ef2ddbc13330f45e4badNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-6900000000-9f69f405679b9796ae17Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-7900000000-f35ebf74b5a7c5ecaf4dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-7900000000-b1b45de9ced774cbb865Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9200000000-c04f91b11c0c5dca1d87Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-d1ac9b15ea26b55d255cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00ku-4900000000-5de9a8e15d45a4ba9f9bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00ku-3900000000-014ceba59926568d9c53Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9000000000-0187081ba0fcc2db4f5aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9300000000-10f1a253f49232c9761dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9200000000-048a1aead3a035ed32cfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-4900000000-4b8a1c8a42ad9b1846f1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00ku-4900000000-d3fd7289b72520bc8086Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-9000000000-d582418bf491a08295b3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-1900000000-b6d8282cc18a4e44faf8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-0900000000-f446d72b35c72a05411fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-9100000000-2729e660c8ea31eb8f76Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-016r-9000000000-e3e3b0cc41b9b4796131Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00kf-9500000000-f10b2aac02ec13fb9fc1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014u-5900000000-13efdbd7889b34fde631Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00ou-9100000000-6363850261b279f06398Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-9000000000-297f0763efef3bc42f7fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9200000000-74e8bf4e2d07408c1e53Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9100000000-9a775b8629610fa422b1Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-0900000000-c655cd261a8c661e33aaNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-2900000000-ea12fb3cd63cf537aaa4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0ukc-9200000000-96adc1ac568629779c05Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-1900000000-60bb0d72d85918c14248Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000l-6900000000-166f967b97ba1ec9aa9fNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-7c31d3d2a8e030eb4234Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-0900000000-2388ba6a204a5879961eNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-4900000000-daeb937a4f5a087cda74Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0f76-9000000000-806c60513d6fa6ff98c4Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-1900000000-5a3ac33a3535d02a6b84Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-80fd7ab92d06ff5b2545Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0006-9000000000-8f5725f88fdc3ea9df49Not AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot 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
1256.0Log mg/kg[710:2200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
115Drinking waterDrinking water & water supplyNot Available
233BrushesPersonal care & cosmeticsNot Available
370AnalgesicsHealthcare, pharmaceuticals & veterinary productsNot Available
490Personal care & cosmeticsNot Available
495CeilingsBuilding & ConstructionNot Available
498LaddersBuilding & ConstructionNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
506AntennasElectrical & Electronic EquipmentNot Available
507Auxiliary DevicesElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
514Discharge LampsElectrical & Electronic EquipmentNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
524Hybrid CapacitorsElectrical & Electronic EquipmentNot Available
525Line Transmission SystemsElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
531RelaysElectrical & Electronic EquipmentNot Available
533Sparking PlugsElectrical & Electronic EquipmentNot Available
536Superconductive Or Hyperconductive Conductors Cables Or Transmission LinesElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
540X Ray TubesElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
545Food PreservationFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
552Processing MeatsFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
566Tobacco PipesHousehold cleaning & consumer productsNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
581Paper Making MachinesIndustrial manufacturing & chemical processingNot Available
583Anchoring EquipmentMarine, shipping & aquacultureNot Available
584BuoysMarine, shipping & aquacultureNot Available
588Inflatable Life Saving EquipmentMarine, shipping & aquacultureNot Available
589Life BuoysMarine, shipping & aquacultureNot Available
591LifeboatsMarine, shipping & aquacultureNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
596AcaricidesAgriculture & land managementNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
602MolluscicidesAgriculture & land managementNot Available
603NematocidesAgriculture & land managementNot Available
604Pest AttractantsAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
607Rodenticides(1)Agriculture & land managementNot Available
608RodenticidesAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
614Essential Oils Or PerfumesPersonal care & cosmeticsNot Available
615Eye Makeup ProductsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
621Chutes And SlidesRecreation & sports surfacesNot Available
623Hobby HorsesRecreation & sports surfacesNot Available
625Racing SportsRecreation & sports surfacesNot Available
630ToysRecreation & sports surfacesNot Available
632ApparelTextiles, leather & furnishingsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
655Slide FastenersTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
658Touch FastenersTextiles, leather & furnishingsNot Available
659Transfer PrintingTextiles, leather & furnishingsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
2 pathways
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Protective antigen structureClick to view 3D structureProtective antigenP13423Bacillus anthracisPredicted (SEA)0.856341
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)39.8588
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)42.8949
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)54.728
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)76.9929
Nicotinate phosphoribosyltransferase structureClick to view 3D structureNicotinate phosphoribosyltransferaseQ6XQN6HumansPredicted (SEA)0.544945
Click to view 3D structureD-alanine--D-alanine ligaseQ47758Enterococcus faecalis (strain ATCC 700802 / V583)Predicted (SEA)1.16774
Click to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP12527Rattus norvegicusPredicted (SEA)28.9599
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)3.73676
Click to view 3D structureCarbonic anhydrase 15Q99N23Mus musculusPredicted (SEA)38.9246
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)165.196
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)87.9696
Serine/threonine-protein kinase Chk1 structureClick to view 3D structureSerine/threonine-protein kinase Chk1O14757HumansPredicted (SEA)510.769
Inhibitor of nuclear factor kappa-B kinase subunit beta structureClick to view 3D structureInhibitor of nuclear factor kappa-B kinase subunit betaO14920HumansPredicted (SEA)255.034
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)521.356
Click to view 3D structureHTH-type transcriptional regulator MgrAP0C1S0Staphylococcus aureusPredicted (SEA)2.49118
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)680.247
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)837.191
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)81.3524
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)783.475
Click to view 3D structureShiga toxin subunit AQ9FBI2Shigella dysenteriaePredicted (SEA)4.04816
Myeloperoxidase structureClick to view 3D structureMyeloperoxidaseP05164HumansPredicted (SEA)22.732
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)19.0731
Hepatocyte nuclear factor 4-alpha structureClick to view 3D structureHepatocyte nuclear factor 4-alphaP41235HumansPredicted (SEA)4.51525
Click to view 3D structureTrans-cinnamate 4-monooxygenaseQ04468Helianthus tuberosusPredicted (SEA)3.89246
Concentrations
Not Available
External Links
DrugBank IDDB08797
HMDB IDHMDB0015687
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSalicylamide
Chemspider ID4963
ChEBI ID32114
PubChem Compound ID5147
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=14729655
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=1650428
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=22530891