<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">2892</id>
  <title>T3D2850</title>
  <common-name>Pentazocine</common-name>
  <description>Pentazocine is only found in individuals that have used or taken this drug. It is the first mixed agonist-antagonist analgesic to be marketed. It is an agonist at the kappa and sigma opioid receptors and has a weak antagonist action at the mu receptor. (From AMA Drug Evaluations Annual, 1991, p97)The preponderance of evidence suggests that pentazocine antagonizes the opioid effects by competing for the same receptor sites, especially the opioid mu receptor.</description>
  <cas>359-83-1</cas>
  <pubchem-id>441278</pubchem-id>
  <chemical-formula>C19H27NO</chemical-formula>
  <weight>285.209260</weight>
  <appearance>White powder.</appearance>
  <melting-point>146.3°C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>1.22e-01 g/L</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Intravenous, Oral. Well absorbed from the gastro-intestinal tract.</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>The preponderance of evidence suggests that pentazocine antagonizes the opioid effects by competing for the same receptor sites, especially the opioid mu receptor.</mechanism-of-toxicity>
  <metabolism>HepaticHalf Life: 2 to 3 hours</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Used to treat mild to moderately severe pain. [Wikipedia] </use-source>
  <min-risk-level nil="true"/>
  <health-effects>Medical problems can include congested lungs, liver disease, tetanus, cardiovascular effects, infection of the heart valves, skin abscesses, anemia and pneumonia. Death can occur from overdose.</health-effects>
  <symptoms>hallucinations and other psychotomimetic effects; cardiovascular effects</symptoms>
  <treatment>Adequate measures to maintain ventilation and general circulatory support should be employed. Assisted or controlled ventilation, intravenous fluids, vasopressors, and other supportive measures should be employed as indicated. Consideration should be given to gastric lavage and gastric aspiration. For respiratory depression due to overdosage or unusual sensitivity to pentazocine, parenteral naloxone is a specific and effective antagonist. Initial doses of 0.4 to 2.0 mg of naloxone are recommended, repeated at 2-3 minute intervals, if needed, up to a total of 10 mg. Anti</treatment>
  <created-at type="dateTime">2009-07-21T20:27:20Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:25:52Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Pentazocine</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C07421</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>116117</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Pentazocine</stitch-id>
  <drugbank-id>DB00652</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>[H][C@]12CC3=C(C=C(O)C=C3)[C@](C)(CCN1CC=C(C)C)[C@@]2([H])C</moldb-smiles>
  <moldb-formula>C19H27NO</moldb-formula>
  <moldb-inchi>InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1</moldb-inchi>
  <moldb-inchikey>InChIKey=VOKSWYLNZZRQPF-GDIGMMSISA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">285.4238</moldb-average-mass>
  <moldb-mono-mass type="decimal">285.209264491</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>4.64</logp>
  <hmdb-id>HMDB14790</hmdb-id>
  <chembl-id>CHEMBL560</chembl-id>
  <chemspider-id>390041</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>
