<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4611</id>
  <title>T3D4557</title>
  <common-name>Desloratadine</common-name>
  <description>Desloratadine is a second generation, tricyclic antihistamine that which has a selective and peripheral H1-antagonist action. It is the active descarboethoxy metabolite of loratidine (a second generation histamine). Desloratidine has a long-lasting effect and does not cause drowsiness because it does not readily enter the central nervous system.</description>
  <cas>100643-71-8</cas>
  <pubchem-id>124087</pubchem-id>
  <chemical-formula>C19H19ClN2</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <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>Like other H1-blockers, Desloratadine competes with free histamine for binding at H&lt;sub&gt;1&lt;/sub&gt;-receptors in the GI tract, uterus, 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.</mechanism-of-toxicity>
  <metabolism>Route of Elimination: Desloratadine (a major metabolite of loratadine) is extensively metabolized to 3-hydroxydesloratadine, an active metabolite, which is subsequently glucuronidated. Approximately 87% of a 14C-desloratadine dose was equally recovered in urine and feces.Half Life: 50 hours</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>For the relief of symptoms of seasonal allergic rhinitis, perennial (non-seasonal) allergic rhinitis. Desloratidine is also used for the sympomatic treatment of pruritus and urticaria (hives) associated with chronic idiopathic urticaria.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-30T21:04:00Z</created-at>
  <updated-at type="dateTime">2026-05-14T16:54:25Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Desloratadine</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id>291342</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB00967</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>ClC1=CC2=C(C=C1)C(=C1CCNCC1)C1=C(CC2)C=CC=N1</moldb-smiles>
  <moldb-formula>C19H19ClN2</moldb-formula>
  <moldb-inchi>InChI=1S/C19H19ClN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2</moldb-inchi>
  <moldb-inchikey>JAUOIFJMECXRGI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">310.821</moldb-average-mass>
  <moldb-mono-mass type="decimal">310.123676325</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>3.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1172</chembl-id>
  <chemspider-id>110575</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;Zoltan Toth, &amp;#8220;Processes for preparation of polymorphic forms of desloratadine.&amp;#8221; U.S. Patent US20040242619, issued December 02, 2004.&lt;/p&gt;</synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003517</chemdb-id>
  <dsstox-id>DTXSID1044196</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00008826</susdat-id>
  <iupac>13-chloro-2-(piperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene</iupac>
  <moldb-polar-surface-area>24.92</moldb-polar-surface-area>
  <moldb-refractivity>101.03880000000002</moldb-refractivity>
  <moldb-polarizability>34.35062039939022</moldb-polarizability>
  <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>9.729122040669644</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>3.48</moldb-alogps-logp>
  <moldb-alogps-logs>-4.90</moldb-alogps-logs>
  <moldb-alogps-solubility>3.95e-03 g/l</moldb-alogps-solubility>
</compound>
