<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">2980</id>
  <title>T3D2938</title>
  <common-name>Fexofenadine</common-name>
  <description>Fexofenadine is an antihistamine drug used in the treatment of hayfever and similar allergy symptoms. It was developed as a successor of and alternative to terfenadine, an antihistamine with potentially fatal contraindications. Fexofenadine, like other second-generation antihistamines, does not readily enter the brain from the blood, and so causes less drowsiness than first generation histamine receptor antagonists; Fexofenadine hydrochloride (brand names include Allegra and Telfast) is an antihistamine drug used in the treatment of hayfever and similar allergy symptoms. It was developed as a successor of and alternative to terfenadine, an antihistamine with potentially fatal contraindications. Fexofenadine, like other second generation antihistamines, does not readily enter the brain from the blood, and so causes less drowsiness than first-generation histamine-receptor antagonists.</description>
  <cas>83799-24-0</cas>
  <pubchem-id>3348</pubchem-id>
  <chemical-formula>C32H39NO4</chemical-formula>
  <weight>501.287910</weight>
  <appearance>White powder.</appearance>
  <melting-point>142.5°C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>Slightly soluble</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral.  33%</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Like other H1-blockers, Fexofenadine competes with free histamine for binding at H1-receptors in the GI tract, large blood vessels, and bronchial smooth muscle. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms (eg. nasal congestion, watery eyes) brought on by histamine. Fexofenadine exhibits no anticholinergic, antidopaminergic, alpha1-adrenergic or beta-adrenergic-receptor blocking effects.</mechanism-of-toxicity>
  <metabolism>Approximately 5% of the total dose is metabolized, by cytochrome P450 3A4 and by intestinal microflora.Half Life: 14.4 hours</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>An antihistamine drug used in the treatment of hayfever and similar allergy symptoms.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms>Side effects include dizziness, drowsiness, and dry mouth.</symptoms>
  <treatment>In the event of overdose, consider standard measures to remove any unabsorbed drug. Symptomatic and supportive treatment is recommended. (L1712)</treatment>
  <created-at type="dateTime">2009-07-21T20:28:01Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:25:53Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Fexofenadine</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C06999</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>5050</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Fexofenadine</stitch-id>
  <drugbank-id>DB00950</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>CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C32H39NO4</moldb-formula>
  <moldb-inchi>InChI=1/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)</moldb-inchi>
  <moldb-inchikey>InChIKey=RWTNPBWLLIMQHL-UHFFFAOYNA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">501.6564</moldb-average-mass>
  <moldb-mono-mass type="decimal">501.287908741</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>5.6</logp>
  <hmdb-id>HMDB05030</hmdb-id>
  <chembl-id>CHEMBL914</chembl-id>
  <chemspider-id>3231</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;Federico Milla, &amp;#8220;Processes for the production of fexofenadine.&amp;#8221; U.S. Patent US20030166682, issued September 04, 2003.&lt;/p&gt;</synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
