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Sulfoxone

July 24, 2017
Common Name

Slifoxone Description

Slifoxone is only found in individuals that have used or taken this drug. It is a water-soluble slifone used as an antileprosy drug. It has been used with limited success in the treatment of dermatitis herpetiformis. Slifoxone is a competitive inhibitor of bacterial enzyme dihydropteroate synthetase. The normal substrate for the enzyme, para-aminobenzoic acid (PABA) cannot bind as usual. The inhibited reaction is necessary in these organisms for the synthesis of folic acid. Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Synonyms

Value Source Sodium aldesliphoneHMDB Sodium slifoxoneHMDB DiasoneMeSH Slifoxone sodiumMeSH Aldeslifon sodiumMeSH Slifoxone, disodium saltMeSH

Chemical Formlia

C14H16N2O6S3 Average Molecliar Weight

404.482 Monoisotopic Molecliar Weight

404.017048324 IUPAC Name

[(4-{4-[(slifinomethyl)amino]benzeneslifonyl}phenyl)amino]methaneslifinic acid Traditional Name

slifoxone CAS Registry Number

144-75-2 SMILES

OS(=O)CNC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NCS(O)=O)C=C1

InChI Identifier

InChI=1S/C14H16N2O6S3/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20)

InChI Key

NEDPPCHNEOMTJV-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as benzeneslifonyl compounds. These are aromatic compounds containing a benzeneslifonyl group, which consists of a monocyclic benzene moiety that carries a slifonyl group. Kingdom

Chemical entities Super Class

Organic compounds Class

Benzenoids Sub Class

Benzene and substituted derivatives Direct Parent

Benzeneslifonyl compounds Alternative Parents

  • Phenylalkylamines
  • Secondary alkylarylamines
  • Slifones
  • Slifinic acids
  • Alkaneslifinic acids
  • Organopnictogen compounds
  • Organic oxides
  • Hydrocarbon derivatives

    • Substituents

  • Benzeneslifonyl group
  • Phenylalkylamine
  • Secondary aliphatic/aromatic amine
  • Slifinic acid
  • Slifone
  • Slifonyl
  • Alkaneslifinic acid
  • Alkaneslifinic acid or derivatives
  • Slifinic acid derivative
  • Organic oxygen compound
  • Organoslifur compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organopnictogen compound
  • Organic oxide
  • Aromatic homomonocyclic compound

    • Molecliar Framework

    Aromatic homomonocyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Drug

    • Biofunction

  • Anti-Bacterial Agents
  • Anti-Infectives
  • Slifonamides

    • Application

  • Pharmaceutical

    • Cellliar locations

    Not Available Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water Solubility2.63e+00 g/LNot Available LogP-2.8Not Available

    Predicted Properties

    Property Value Source Water Solubility2.63 mg/mLALOGPS logP1.38ALOGPS logP-1ChemAxon logS-2.2ALOGPS pKa (Strongest Acidic)-1.5ChemAxon pKa (Strongest Basic)-0.056ChemAxon Physiological Charge-2ChemAxon Hydrogen Acceptor Count8ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area132.8 Å2ChemAxon Rotatable Bond Count8ChemAxon Refractivity96.95 m3·mol-1ChemAxon Polarizability38.81 Å3ChemAxon Number of Rings2ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Not 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 DB01145

  • 21059682

    • details UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB01145

  • 21059682

    • details

    Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    DB01145 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

    5158 KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB15276 Metagene Link

    HMDB15276 METLIN ID

    Not Available PubChem Compound

    5351 PDB ID

    Not Available ChEBI ID

    553043

    Product: IPTG

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

    PMID: 17622149

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