<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-03-25 19:11:27 UTC</creation_date>
  <update_date>2026-08-19 01:17:01 UTC</update_date>
  <accession/>
  <common_name>Mabuterol</common_name>
  <class>SmallMolecule</class>
  <description>Mabuterol is an organic compound with the formula C13H18Cl1F3N2O1 and an average molecular weight of 310.75 g/mol. Mabuterol belongs to the trifluoromethylbenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid substance is found in or released from two recorded sources: healthcare, pharmaceuticals &amp; veterinary products (antibiotics) and electrical &amp; electronic equipment (electrically stimulated smoking devices). Recorded exposure routes for this compound include oral and inhalation.</description>
  <categories/>
  <types/>
  <synonyms>
    <synonym>1-(4'-Amino-3'-chloro-5'-trifluoromethylphenyl)-2-tert-butylaminoethanol</synonym>
    <synonym>1-(4-Amino-3-chloro-5-(trifluoromethyl)phenyl)-2-(tert-butylamino)ethanol</synonym>
    <synonym>1-(4-Amino-3-chloro-5-trifluoromethyl-phenyl)-2-tert-butylamino-ethanol</synonym>
    <synonym>1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol</synonym>
    <synonym>1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-[(2-methyl-2-propanyl)amino]ethanol</synonym>
    <synonym>4-Amino-3-chloro-a-[[(1,1-dimethylethyl)amino]methyl]-5-(trifluoromethyl)benzenemethanol</synonym>
    <synonym>4-Amino-a-[(tert-butylamino)methyl]-3-chloro-5-(trifluoromethyl)benzyl Alcohol</synonym>
    <synonym>4-Amino-a-[(tert-butylamino)methyl]-5-(trifluoromethyl)benzene-methanol</synonym>
    <synonym>4-Amino-alpha-((tert-butylamino)methyl)-3-chloro-5-(trifluoromethyl)benzyl alcohol</synonym>
    <synonym>Ambuterol</synonym>
    <synonym>Amino-3-chloro-a-[[(1,1-dimethylethyl)amino]methyl]-5-(trifluoromethyl)benzenemethanol</synonym>
    <synonym>Benzenemethanol, 4-amino-3-chloro-alpha-(((1,1-dimethylethyl)amino)methyl)-5-(trifluoromethyl)-</synonym>
    <synonym>Benzenemethanol, 4-amino-3-chloro-alpha-[[(1,1-dimethylethyl)amino]methyl]-5-(trifluoromethyl)-</synonym>
    <synonym>Broncholin</synonym>
    <synonym>PB 868Cl</synonym>
    <synonym>UNII:R4K19W6S7Q</synonym>
    <synonym>[56341-08-3]</synonym>
  </synonyms>
  <chemical_formula>C13H18Cl1F3N2O1</chemical_formula>
  <average_molecular_weight>310.75</average_molecular_weight>
  <monisotopic_moleculate_weight>310.105976</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>56341-08-3;56707-24-5</cas_registry_number>
  <smiles>CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(=C1)C(F)(F)F</smiles>
  <inchi>InChI=1S/C13H18ClF3N2O/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7/h4-5,10,19-20H,6,18H2,1-3H3</inchi>
  <inchikey>JSJCTEKTBOKRST-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/>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>2.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>310.75</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>310.105976</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(C)(C)NCC(O)C1=CC(Cl)=C(N)C(=C1)C(F)(F)F</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C13H18Cl1F3N2O1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C13H18ClF3N2O/c1-12(2,3)19-6-10(20)7-4-8(13(15,16)17)11(18)9(14)5-7/h4-5,10,19-20H,6,18H2,1-3H3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>JSJCTEKTBOKRST-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:0x00007f727116c138&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>3995</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>3857</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
  <targets>
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  </targets>
</compound>
