<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3072</id>
  <title>T3D3030</title>
  <common-name>Bromodiphenhydramine</common-name>
  <description>Bromodiphenhydramine is only found in individuals that have used or taken this drug. It is an ethanolamine antihistamine with antimicrobial property. Bromodiphenhydramine is used in the control of cutaneous allergies. Ethanolamine antihistamines produce marked sedation in most patients. Bromodiphenhydramine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding.</description>
  <cas>118-23-0</cas>
  <pubchem-id>2444</pubchem-id>
  <chemical-formula>C17H20BrNO</chemical-formula>
  <weight>333.072830</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>3.45e-03 g/L</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Well absorbed in the digestive tract.</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Bromodiphenhydramine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding.</mechanism-of-toxicity>
  <metabolism>Hepatic (cytochrome P-450 system); some renal.Half Life: 1 to 4 hours</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>For management of symptoms related to hay fever and other types of allergy and used to help bring up phlegm, thin secretions, and make a cough productive.</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">2009-07-21T20:28:43Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:25:56Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id></uniprot-id>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>59177</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Bromodiphenhydramine</stitch-id>
  <drugbank-id>DB01237</drugbank-id>
  <pdb-id></pdb-id>
  <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(C1=CC=CC=C1)C1=CC=C(Br)C=C1</moldb-smiles>
  <moldb-formula>C17H20BrNO</moldb-formula>
  <moldb-inchi>InChI=1/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3</moldb-inchi>
  <moldb-inchikey>InChIKey=NUNIWXHYABYXKF-UHFFFAOYNA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">334.251</moldb-average-mass>
  <moldb-mono-mass type="decimal">333.072826914</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>4</logp>
  <hmdb-id>HMDB15367</hmdb-id>
  <chembl-id nil="true"/>
  <chemspider-id>2350</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>&lt;p&gt;&lt;a href="http://www.drugsyn.org/Bromodiphenhydramine.htm"&gt;DrugSyn.org&lt;/a&gt;&lt;/p&gt;</synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
