<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-22 03:39:47 UTC</creation_date>
  <update_date>2026-08-25 00:10:29 UTC</update_date>
  <accession/>
  <common_name>Diazoxide</common_name>
  <class>SmallMolecule</class>
  <description>Diazoxide is an organic compound with the formula C8H7ClN2O2S and an average molecular weight of 230.67 g/mol. Diazoxide belongs to the benzothiadiazines, a subclass of thiadiazines within the organic compounds.

This compound is associated with 13 recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is found in antihypertensives, gynecologicals, and unclassified therapeutic products. It is also identified in food preservation within the food, food processing, and cookware category. In household cleaning and consumer products, it is present in tobacco smoke filters, perfumes within detergents and soaps, and non electric simulated smoking devices. Additionally, it is released from electrical and electronic equipment, including antennas, conductors or conductive bodies characterised by the conductive materials, electrodes, electric switches, and electrically stimulated smoking devices. Recorded exposure routes for diazoxide include oral, intravenous, and intramuscular administration.

Diazoxide interacts with seven recorded protein targets. These include the inducer/inhibitor of ATP-sensitive inward rectifier potassium channel 11 (KCNJ11), as well as mitochondrial subunits of the ATP synthase F(1) complex, specifically the beta subunit (ATP5F1B), the alpha subunit (ATP5F1A), and the delta subunit (ATP5F1D), along with three other proteins.</description>
  <categories/>
  <types>
    <type>Human Neurotoxin</type>
  </types>
  <synonyms/>
  <chemical_formula>C8H7ClN2O2S</chemical_formula>
  <average_molecular_weight>230.671</average_molecular_weight>
  <monisotopic_moleculate_weight>229.991675875</monisotopic_moleculate_weight>
  <iupac_name>7-chloro-3-methyl-4H-1λ⁶,2,4-benzothiadiazine-1,1-dione</iupac_name>
  <traditional_iupac>hyperstat</traditional_iupac>
  <cas_registry_number>364-98-7</cas_registry_number>
  <smiles>CC1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2</smiles>
  <inchi>InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)</inchi>
  <inchikey>GDLBFKVLRPITMI-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Thiadiazines</class>
    <sub_class>Benzothiadiazines</sub_class>
    <direct_parent>1,2,4-benzothiadiazine-1,1-dioxides</direct_parent>
    <alternate_parents>
      <alternative_parent>Amidines</alternative_parent>
      <alternative_parent>Aryl chlorides</alternative_parent>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Benzenoids</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Imidolactams</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organochlorides</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Organosulfonic acids and derivatives</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>1,2,4-benzothiadiazine-1,1-dioxide</substituent>
      <substituent>Amidine</substituent>
      <substituent>Aromatic heteropolycyclic compound</substituent>
      <substituent>Aryl chloride</substituent>
      <substituent>Aryl halide</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Imidolactam</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic sulfonic acid or derivatives</substituent>
      <substituent>Organochloride</substituent>
      <substituent>Organohalogen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Organosulfonic acid or derivatives</substituent>
    </substituents>
    <molecular_framework>Aromatic heteropolycyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>benzothiadiazine</descriptor>
      <descriptor>organochlorine compound</descriptor>
      <descriptor>sulfone</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Diazoxide Drug Metabolism</name>
      <smpdb_id>SMP0130712</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Diazoxide Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0143540</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.09</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.62</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>5.52e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>10.48</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>1.33</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>7-chloro-3-methyl-4H-1λ⁶,2,4-benzothiadiazine-1,1-dione</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>230.671</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>229.991675875</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C8H7ClN2O2S</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>GDLBFKVLRPITMI-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>58.53</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>54.84</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>20.98</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formal_charge</kind>
      <value>0</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72764dc4f8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB01119</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>3019</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>2911</chemspider_id>
  <kegg_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <pdb_id/>
  <wikipidia/>
  <general_references/>
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</compound>
