<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">2973</id>
  <title>T3D2931</title>
  <common-name>Almotriptan</common-name>
  <description>Almotriptan is a triptan drug for the treatment of migraine headaches. Almotriptan is in a class of medications called selective serotonin receptor agonists. It works by narrowing blood vessels in the brain, stopping pain signals from being sent to the brain, and stopping the release of certain natural substances that cause pain, nausea, and other symptoms of migraine. Almotriptan does not prevent migraine attacks.</description>
  <cas>181183-52-8</cas>
  <pubchem-id>123606</pubchem-id>
  <chemical-formula>C17H25N3O2S</chemical-formula>
  <weight>335.166750</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>1.21e-01 g/L</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Almotriptan binds with high affinity to human 5-HT&lt;sub&gt;1B&lt;/sub&gt; and 5-HT&lt;sub&gt;1D&lt;/sub&gt; receptors leading to cranial blood vessel constriction.</mechanism-of-toxicity>
  <metabolism>Hepatic.Route of Elimination: Almotriptan is eliminated primarily by renal excretion (about 75% of the oral dose), with approximately 40% of an administered dose excreted unchanged in urine. Approximately 13% of the administered dose is excreted via feces, both unchanged and metabolized.Half Life: 3-4 hours</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Almotriptan is indicated for the acute treatment of migraine with or without aura in adults. [Wikipedia]</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms>Nausea, drowsiness, dizziness, diarrhea, headache, sweating, or dry mouth may occur.</symptoms>
  <treatment>Gastrointestinal decontamination (i.e., gastric lavage followed by activated charcoal) should be considered in patients suspected of an overdose with Almotriptan. Clinical and electrocardiographic monitoring should be continued for at least 20 hours, even if clinical symptoms are not observed. (L1712)</treatment>
  <created-at type="dateTime">2009-07-21T20:27:58Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:25:53Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Almotriptan</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>520985</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Almotriptan</stitch-id>
  <drugbank-id>DB00918</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)CCC1=CNC2=C1C=C(CS(=O)(=O)N1CCCC1)C=C2</moldb-smiles>
  <moldb-formula>C17H25N3O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3</moldb-inchi>
  <moldb-inchikey>InChIKey=WKEMJKQOLOHJLZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">335.464</moldb-average-mass>
  <moldb-mono-mass type="decimal">335.166747749</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>1.6</logp>
  <hmdb-id>HMDB15054</hmdb-id>
  <chembl-id>CHEMBL1505</chembl-id>
  <chemspider-id>110198</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;Ramasubramanian Sridharan, Vandanapu Purushotham, Kori Algooram, Nitin Pradhan, &amp;#8220;Crystalline forms of almotriptan and processes for their preparation.&amp;#8221; U.S. Patent US20070112055, issued May 17, 2007.&lt;/p&gt;</synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
