<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2016-05-25 18:21:00 UTC</creation_date>
  <update_date>2026-08-19 17:12:56 UTC</update_date>
  <accession/>
  <common_name>Carteolol</common_name>
  <class>SmallMolecule</class>
  <description>Carteolol is an organic compound with the formula C16H24N2O3 and an average molecular weight of 292.37 g/mol. Carteolol belongs to the hydroquinolines, a subclass of quinolines and derivatives within the organic compounds.

This compound is associated with nine recorded sources. Within healthcare, pharmaceuticals, and veterinary products, it is found in beta blocking agents as well as miotics and antiglaucoma preparations. It is also identified in household cleaning and consumer products, specifically tobacco smoke filters and perfumes within soaps and detergents. Additionally, it is recorded in electrical and electronic equipment, including electrodes, radio transmission systems, electrically stimulated smoking devices, conductors or conductive bodies characterized by the conductive materials, and antennas. The recorded exposure route for this substance is ophthalmic.

At the molecular level, carteolol interacts with two recorded protein targets. It acts as an antagonist/antagonist and a partial agonist of both the Beta-1 adrenergic receptor (ADRB1) and the Beta-2 adrenergic receptor (ADRB2).</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>C16H24N2O3</chemical_formula>
  <average_molecular_weight>292.3734</average_molecular_weight>
  <monisotopic_moleculate_weight>292.178692644</monisotopic_moleculate_weight>
  <iupac_name>5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydroquinolin-2-one</iupac_name>
  <traditional_iupac>carteolol</traditional_iupac>
  <cas_registry_number>51781-06-7</cas_registry_number>
  <smiles>CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2</smiles>
  <inchi>InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)</inchi>
  <inchikey>LWAFSWPYPHEXKX-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organoheterocyclic compounds</super_class>
    <class>Quinolines and derivatives</class>
    <sub_class>Hydroquinolines</sub_class>
    <direct_parent>Hydroquinolines</direct_parent>
    <alternate_parents>
      <alternative_parent>1,2-aminoalcohols</alternative_parent>
      <alternative_parent>Alkyl aryl ethers</alternative_parent>
      <alternative_parent>Azacyclic compounds</alternative_parent>
      <alternative_parent>Benzenoids</alternative_parent>
      <alternative_parent>Cyclic carboximidic acids</alternative_parent>
      <alternative_parent>Dialkylamines</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Organopnictogen compounds</alternative_parent>
      <alternative_parent>Propargyl-type 1,3-dipolar organic compounds</alternative_parent>
      <alternative_parent>Secondary alcohols</alternative_parent>
    </alternate_parents>
    <substituents>
      <substituent>1,2-aminoalcohol</substituent>
      <substituent>Alcohol</substituent>
      <substituent>Alkyl aryl ether</substituent>
      <substituent>Amine</substituent>
      <substituent>Aromatic heteropolycyclic compound</substituent>
      <substituent>Azacycle</substituent>
      <substituent>Benzenoid</substituent>
      <substituent>Cyclic carboximidic acid</substituent>
      <substituent>Dihydroquinoline</substituent>
      <substituent>Ether</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Organic 1,3-dipolar compound</substituent>
      <substituent>Organic nitrogen compound</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organonitrogen compound</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Organopnictogen compound</substituent>
      <substituent>Propargyl-type 1,3-dipolar organic compound</substituent>
      <substituent>Secondary alcohol</substituent>
      <substituent>Secondary aliphatic amine</substituent>
      <substituent>Secondary amine</substituent>
    </substituents>
    <molecular_framework>Aromatic heteropolycyclic compounds</molecular_framework>
    <descriptors>
      <descriptor>quinolone</descriptor>
      <descriptor>secondary alcohol</descriptor>
    </descriptors>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways>
    <pathway>
      <name>Carteolol Action Pathway</name>
      <smpdb_id>SMP0000658</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Carteolol B2-Adrenergic Ciliary Muscle Contraction Action Pathway</name>
      <smpdb_id>SMP0126201</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Carteolol B1-Adrenergic Ciliary Muscle Contraction Action Pathway</name>
      <smpdb_id>SMP0126647</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Carteolol Drug Metabolism Action Pathway</name>
      <smpdb_id>SMP0142972</smpdb_id>
      <kegg_map_id/>
    </pathway>
    <pathway>
      <name>Carteolol Predicted Metabolism Pathway</name>
      <smpdb_id>SMP0174572</smpdb_id>
      <kegg_map_id/>
    </pathway>
  </pathways>
  <state/>
  <appearance/>
  <experimental_properties>
    <property>
      <kind>logp</kind>
      <value>1.42</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>1.05</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-2.84</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>4.21e-01 g/l</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logp</kind>
      <value>1.42</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_acidic</kind>
      <value>13.41</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>pka_strongest_basic</kind>
      <value>9.76</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>iupac</kind>
      <value>5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydroquinolin-2-one</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>average_mass</kind>
      <value>292.3734</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>292.178692644</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(C)(C)NCC(O)COC1=CC=CC2=C1CCC(=O)N2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C16H24N2O3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>LWAFSWPYPHEXKX-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polar_surface_area</kind>
      <value>70.59</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>refractivity</kind>
      <value>83.14</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>polarizability</kind>
      <value>32.79</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>rotatable_bond_count</kind>
      <value>6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>acceptor_count</kind>
      <value>4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>donor_count</kind>
      <value>3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>physiological_charge</kind>
      <value>1</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:0x00007f3bbf870fa8&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id>DB00521</drugbank_id>
  <hmdb_id/>
  <pubchem_compound_id>2583</pubchem_compound_id>
  <chembl_id/>
  <chemspider_id>2485</chemspider_id>
  <kegg_id/>
  <uniprot_id/>
  <omim_id/>
  <chebi_id/>
  <biocyc_id/>
  <ctd_id/>
  <stitch_id/>
  <actor_id/>
  <pdb_id/>
  <wikipidia/>
  <general_references/>
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  </targets>
</compound>
