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Salicylamide

July 24, 2017
Common Name

Salicylamide Description

Salicylamide is the common name for the substance o-hydroxybenzamide, or amide of salicyl. Salicylamide is a non-prescription drug with analgesic and antipyretic properties. Its medicinal uses are similar to those of aspirin. Salicylamide is used in combination with both aspirin and caffeine in the over-the-counter pain remedies Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Synonyms

Value Source 2-CarbamoylphenolChEBI 2-CarboxamidophenolChEBI 2-HydroxybenzamideChEBI O-HydroxybenzamideChEBI OHBChEBI SalicilamidaChEBI SalicylamidumChEBI Salicylic acid amideChEBI Salicylate amideGenerator Salicylamide slifateMeSH Salicylamide, 3H-labeledMeSH Salicylamide, monosodium saltMeSH Salicylamide, calcium (2:1) saltMeSH

Chemical Formlia

C7H7NO2 Average Molecliar Weight

137.136 Monoisotopic Molecliar Weight

137.047678473 IUPAC Name

2-hydroxybenzamide Traditional Name

salicylamide CAS Registry Number

65-45-2 SMILES

NC(=O)C1=CC=CC=C1O

InChI Identifier

InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)

InChI Key

SKZKKFZAGNVIMN-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position. Kingdom

Chemical entities Super Class

Organic compounds Class

Benzenoids Sub Class

Phenols Direct Parent

1-hydroxy-4-unsubstituted benzenoids Alternative Parents

  • 1-hydroxy-2-unsubstituted benzenoids
  • Benzene and substituted derivatives
  • Carboximidic acids
  • Organopnictogen compounds
  • Organooxygen compounds
  • Organonitrogen compounds
  • Hydrocarbon derivatives

    • 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

    • Molecliar Framework

    Aromatic homomonocyclic compounds External Descriptors

  • phenols (CHEBI:32114 )
  • salicylamides (CHEBI:32114 )
  • a small moleclie (SALICYLAMIDE )

    • Ontology Status

    Expected but not Quantified Origin

  • Drug

    • Biofunction

  • Analgesics
  • Antipyretics

    • Application

  • Pharmaceutical

    • Cellliar locations

    Not Available Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting Point140 °CNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility7.82 mg/mLALOGPS 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 Å2ChemAxon Rotatable Bond Count1ChemAxon Refractivity37.12 m3·mol-1ChemAxon Polarizability13.22 Å3ChemAxon Number of Rings1ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key LC-MS/MS

    LC-MS/MS Spectrum – LC-ESI-TOF , negativesplash10-000i-1900000000-132217380eb9a2784eb0View in MoNA Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available

    Biological Properties Cellliar Locations

    Not Available Biofluid Locations

  • Blood
  • Urine

    • Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations

    Biofluid Status Value Age Sex Condition Reference Details BloodExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB08797

  • 21059682

    • details UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB08797

  • 21059682

    • details

    Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    DB08797 DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    Not Available KNApSAcK ID

    Not Available Chemspider ID

    4963 KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Salicylamide NuGOwiki Link

    HMDB15687 Metagene Link

    HMDB15687 METLIN ID

    Not Available PubChem Compound

    5147 PDB ID

    Not Available ChEBI ID

    32114

    Product: Sulfacetamide (Sodium)

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Download (PDF) General References Not Available

    PMID: 16273120

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