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<compound>
  <id type="integer">2973</id>
  <title>T3D2931</title>
  <common-name>Almotriptan</common-name>
  <description>Almotriptan is an exogenous organic compound with the formula C17H25N3O2S and an average molecular weight of 335.46 g/mol. It exists as a solid at room temperature. Almotriptan belongs to the tryptamines and derivatives, a subclass of indoles and derivatives within the organic compounds. This compound functions as a serotonergic agonist, vasoconstrictor agent, and non-steroidal anti-inflammatory drug. It binds with high affinity to human 5-hydroxytryptamine receptor 1B (HTR1B) and 5-hydroxytryptamine receptor 1D (HTR1D) receptors, which leads to the constriction of cranial blood vessels.

The compound is recorded in several sources, including analgesics within healthcare, pharmaceuticals, and veterinary products; electric hearing aids within electrical and electronic equipment; and other smoking requisites and non-electric simulated smoking devices within household cleaning and consumer products. The recorded route of exposure for almotriptan is oral.</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">2026-05-14T16:52:48Z</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>
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  <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>
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  <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"/>
  <chemdb-id>CHEM002302</chemdb-id>
  <dsstox-id>DTXSID5044289</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00014315</susdat-id>
  <iupac>dimethyl(2-{5-[(pyrrolidine-1-sulfonyl)methyl]-1H-indol-3-yl}ethyl)amine</iupac>
  <moldb-polar-surface-area>56.410000000000004</moldb-polar-surface-area>
  <moldb-refractivity>94.52189999999999</moldb-refractivity>
  <moldb-polarizability>37.00585179084725</moldb-polarizability>
  <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>17.136012780155003</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>9.545771606171147</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>2.04</moldb-alogps-logp>
  <moldb-alogps-logs>-3.44</moldb-alogps-logs>
  <moldb-alogps-solubility>1.21e-01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Indoles and derivatives</klass>
  <subklass>Tryptamines and derivatives</subklass>
  <paper-count type="integer">313</paper-count>
  <sync-id>CED0009506</sync-id>
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  <structure-indexed-at type="dateTime">2026-09-19T04:00:39Z</structure-indexed-at>
</compound>
