<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-04 18:13:41 UTC</creation_date>
  <update_date>2026-05-14 19:02:15 UTC</update_date>
  <accession/>
  <common_name>Umeclidinium</common_name>
  <class>SmallMolecule</class>
  <description>Umeclidinium is an organic compound with the formula C29H34N1O2 and an average molecular weight of 428.60 g/mol. Umeclidinium belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. 

This compound is found in or released from two recorded sources: household cleaning and consumer products, specifically pipe accessories, and healthcare, pharmaceuticals and veterinary products, where it is used as a drug for obstructive airway diseases. Recorded exposure routes for the substance include oral and respiratory pathways. Regarding its biological activity, umeclidinium interacts with five recorded protein targets. It functions as an antagonist of the muscarinic acetylcholine receptors M1 (CHRM1), M2 (CHRM2), M3 (CHRM3), and M4 (CHRM4), in addition to one other protein.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1-Azoniabicyclo[2.2.2]octane, 4-(hydroxydiphenylmethyl)-1-[2-(phenylmethoxy)ethyl]-</synonym>
    <synonym>1-[2-(Benzyloxy)ethyl]-4-[hydroxy(diphenyl)methyl]-1-azoniabicyclo[2.2.2]octane</synonym>
    <synonym>di(phenyl)-[1-[2-(phenylmethoxy)ethyl]-1-azoniabicyclo[2.2.2]octan-4-yl]methanol</synonym>
    <synonym>di(phenyl)-[1-[2-(phenylmethoxy)ethyl]-4-quinuclidin-1-iumyl]methanol</synonym>
    <synonym>di(phenyl)-[1-[2-(phenylmethoxy)ethyl]quinuclidin-1-ium-4-yl]methanol</synonym>
    <synonym>GE2T1418SV</synonym>
    <synonym>Incruse ElliptaÃ‚Â®</synonym>
    <synonym>Umeclidinium</synonym>
    <synonym>UNII-GE2T1418SV</synonym>
    <synonym>UNII:GE2T1418SV</synonym>
    <synonym>[1-[2-(benzyloxy)ethyl]quinuclidin-1-ium-4-yl]-di(phenyl)methanol</synonym>
  </synonyms>
  <chemical_formula>C29H34N1O2</chemical_formula>
  <average_molecular_weight>428.595</average_molecular_weight>
  <monisotopic_moleculate_weight>428.258954</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>869185-19-3</cas_registry_number>
  <smiles>OC(C1=CC=CC=C1)(C1=CC=CC=C1)C12CC[N+](CCOCC3=CC=CC=C3)(CC1)CC2</smiles>
  <inchi>InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1</inchi>
  <inchikey>FVTWTVQXJTQP-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>Umeclidinium Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0144289</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>0.68</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>428.595</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>428.258954</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>OC(C1=CC=CC=C1)(C1=CC=CC=C1)C12CC[N+](CCOCC3=CC=CC=C3)(CC1)CC2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C29H34N1O2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>FVTWTVQXJTQP-UHFFFAOYSA-N</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:0x00007f72257ffb40&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB09076</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>11519070</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>9693858</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
    <target>
      <target_id/>
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      <target_id>BE0000092</target_id>
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      <target_id>BE0000560</target_id>
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</compound>
