<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 13:54:38 UTC</creation_date>
  <update_date>2026-08-22 08:27:16 UTC</update_date>
  <accession/>
  <common_name>Osimertinib mesylate</common_name>
  <class>SmallMolecule</class>
  <description>Osimertinib mesylate is an organic compound with the formula C28H33N7O2 and an average molecular weight of 499.62 g/mol. Osimertinib mesylate belongs to the n-alkylindoles, a subclass of indoles and derivatives within the organic compounds. In terms of biological activity, the compound acts as an inhibitor and regulator of the Epidermal growth factor receptor (EGFR).

The substance is found in or released from two recorded sources: electric hearing aids (Electrical &amp; Electronic Equipment) and antineoplastic agents (Healthcare, pharmaceuticals &amp; veterinary products). The recorded route of exposure for this compound is oral.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C28H33N7O2</chemical_formula>
  <average_molecular_weight>499.619</average_molecular_weight>
  <monisotopic_moleculate_weight>499.2695733</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>1421373-65-0</cas_registry_number>
  <smiles>COC1=C(NC2=NC=CC(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C</smiles>
  <inchi>InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)</inchi>
  <inchikey>DUYJMQONPNNFPI-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Osimertinib Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144426</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>4.49</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>499.619</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>499.2695733</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>COC1=C(NC2=NC=CC(=N2)C2=CN(C)C3=C2C=CC=C3)C=C(NC(=O)C=C)C(=C1)N(C)CCN(C)C</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C28H33N7O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>DUYJMQONPNNFPI-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7275dae4d8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB09330</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>71496458</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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      <target_id>BE0000767</target_id>
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