<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4605</id>
  <title>T3D4551</title>
  <common-name>Doxylamine</common-name>
  <description>Histamine H1 antagonist with pronounced sedative properties. It is used in allergies and as an antitussive, antiemetic, and hypnotic. Doxylamine has also been administered in veterinary applications and was formerly used in parkinsonism. [PubChem]</description>
  <cas>469-21-6</cas>
  <pubchem-id>3162</pubchem-id>
  <chemical-formula>C17H22N2O</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point>&lt; 25 °C</melting-point>
  <boiling-point>139 °C at 5.00E-01 mm Hg</boiling-point>
  <density nil="true"/>
  <solubility>1 g/ml (succinate salt)</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Readily absorbed via the gastrointestinal tract.</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Like other antihistamines, doxylamine acts by competitively inhibiting histamine at H1&amp;nbsp;receptors. It also has substantial sedative and anticholinergic effects.</mechanism-of-toxicity>
  <metabolism>Hepatic.Half Life: 10 hours</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Used alone as a short-term sleep aid, in combination with other drugs as a night-time cold and allergy relief drug. Also used in combination with Vitamin B6 (pyridoxine) to prevent morning sickness in pregnant women.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms>Signs of overdose include wheezing, tightness in the chest, fever, itching, bad cough, blue skin color, fits, swelling of face, lips, tongue, or throat.</symptoms>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-30T21:03:25Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:52Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Doxylamine</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id>51380</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB00366</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>CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1</moldb-smiles>
  <moldb-formula>C17H22N2O</moldb-formula>
  <moldb-inchi>InChI=1/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3</moldb-inchi>
  <moldb-inchikey>InChIKey=HCFDWZZGGLSKEP-UHFFFAOYNA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">270.3694</moldb-average-mass>
  <moldb-mono-mass type="decimal">270.173213336</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp>2.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1004</chembl-id>
  <chemspider-id>3050</chemspider-id>
  <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></synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
