<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">137124</id>
  <title nil="true"/>
  <common-name>Ampreloxetine</common-name>
  <description>Ampreloxetine is an organic compound with the formula C18H18F3NO and an average molecular weight of 321.34 g/mol. Ampreloxetine belongs to the phenylpiperidines, a subclass of piperidines within the organic compounds. It is further classified as an organoheterocyclic compound. In terms of biological activity, there are two recorded protein targets for this compound, as it acts as a modulator of the sodium-dependent noradrenaline transporter (SLC6A2) and the sodium-dependent serotonin transporter (SLC6A4).</description>
  <cas>1227056-84-9</cas>
  <pubchem-id>46189893</pubchem-id>
  <chemical-formula>C18H18F3NO</chemical-formula>
  <weight>321.3</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-04-14T20:14:52Z</created-at>
  <updated-at type="dateTime">2026-08-19T23:49:34Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB15348</drugbank-id>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>FC1=CC(F)=C(OCC2=CC=CC=C2C2CCNCC2)C(F)=C1</moldb-smiles>
  <moldb-formula>C18H18F3NO</moldb-formula>
  <moldb-inchi>InChI=1S/C18H18F3NO/c19-14-9-16(20)18(17(21)10-14)23-11-13-3-1-2-4-15(13)12-5-7-22-8-6-12/h1-4,9-10,12,22H,5-8,11H2</moldb-inchi>
  <moldb-inchikey>TZIALEBTHQWNAO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">321.343</moldb-average-mass>
  <moldb-mono-mass type="decimal">321.134048693</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.07</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM133017</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>4-{2-[(2,4,6-trifluorophenoxy)methyl]phenyl}piperidine</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Piperidines</klass>
  <subklass>Phenylpiperidines</subklass>
  <paper-count type="integer">42</paper-count>
  <sync-id>CED0024574</sync-id>
  <structure-inchikey>TZIALEBTHQWNAO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000000000800000000004008000400000000100000000000000000000000000000000000000000000000000000000800000000000000000000000110000000000040200100000000000000000000004000100000000000020000000000000000000000101000000000000000800000200008000000000010000100000000000000000002000000080044000004000000080000000000000000080000000000000008000000000000000000040000000000000000020000000000000000000200000000000000000000008000000040000400000000800000000000000000800000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAXAAAAGQAAAIABCQAgAAAAAQZAKAAAAAME
BkBoAAAAAwMBBkAoAAAAAwQJACAAAAABBkAoAAAAAwQIACgAAAADAgYAYAAA
AAICBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAAD
AwEGQCgAAAADBAYAYAAAAAMBBgBgAAAAAgIGAGAAAAACAgcAYAAAAAIBBgBg
AAAAAgIGAGAAAAACAgZAKAAAAAMECQAgAAAAAQZAaAAAAAMDAQsAAQABAmgM
AgNoDAMEAAMFaAwFBiAGBwAHCAAICWgMCQpoDAoLaAwLDGgMDA1oDA0OAA4P
AA8QABARABESABITAAUUaAwUFQAUFmgMFgFoDA0IaAwTDgBCAwAAAAYBFhQF
AwIGCQoLDA0IBg8QERITDhcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:50:19Z</structure-indexed-at>
</compound>
