<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3568</id>
  <title>T3D3526</title>
  <common-name>Pentamidine</common-name>
  <description>Pentamidine is only found in individuals that have used or taken this drug. It is an antiprotozoal agent effective in trypanosomiasis, leishmaniasis, and some fungal infections; used in treatment of pneumocystis pneumonia in HIV-infected patients. It may cause diabetes mellitus, central nervous system damage, and other toxic effects. [PubChem] The mode of action of pentamidine is not fully understood. It is thought that the drug interferes with nuclear metabolism producing inhibition of the synthesis of DNA, RNA, phospholipids, and proteins.</description>
  <cas>100-33-4</cas>
  <pubchem-id>4735</pubchem-id>
  <chemical-formula>C19H24N4O2</chemical-formula>
  <weight>340.189930</weight>
  <appearance>White powder.</appearance>
  <melting-point>186.0°C (decomposes)</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>Complete</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Absorbed poorly through the gastrointestinal tract and is usually administered parenterally.</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>The mode of action of pentamidine is not fully understood. It is thought that the drug interferes with nuclear metabolism producing inhibition of the synthesis of DNA, RNA, phospholipids, and proteins.</mechanism-of-toxicity>
  <metabolism>Hepatic.Half Life: 9.1-13.2 hours</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>For the treatment of pneumonia due to &lt;i&gt;Pneumocystis carinii&lt;/i&gt;.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms>Symptoms of overdose include pain, nausea, anorexia, hypotension, fever, rash, bad taste in mouth, confusion/hallucinations, dizziness, and diarrhea.</symptoms>
  <treatment nil="true"/>
  <created-at type="dateTime">2009-07-30T17:59:04Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:07Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Pentamidine</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C07420</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>45081</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Pentamidine </stitch-id>
  <drugbank-id>DB00738</drugbank-id>
  <pdb-id>PNT</pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>NC(=N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(N)=N)C=C1</moldb-smiles>
  <moldb-formula>C19H24N4O2</moldb-formula>
  <moldb-inchi>InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)</moldb-inchi>
  <moldb-inchikey>InChIKey=XDRYMKDFEDOLFX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">340.4195</moldb-average-mass>
  <moldb-mono-mass type="decimal">340.189926032</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>4</logp>
  <hmdb-id>HMDB14876</hmdb-id>
  <chembl-id>CHEMBL55</chembl-id>
  <chemspider-id>4573</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>
