<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4699</id>
  <title>T3D4645</title>
  <common-name>Acrivastine</common-name>
  <description>Acrivastine is a medication used for the treatment of allergies and hay fever. It is a second-generation H1-receptor antagonist antihistamine (like its base molecule triprolidine) and works by blocking Histamine H1 receptors. Anticholinergic (primarily antimuscarinic) effects develop in overdose due to antagonism of central H1 receptors. Large overdoses of H1 blockers, particularly diphenhydramine, may cause sodium channel antagonism. Decongestants can lead to sympathomimetic (e.g., hypertension, tachycardia, hyperventilation, intercranial hemorrhage) symptoms. (L2048)</description>
  <cas>87848-99-5</cas>
  <pubchem-id>5284514</pubchem-id>
  <chemical-formula>C22H24N2O2</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 nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Acrivastine is a medication used for the treatment of allergies and hay fever.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-09-08T02:39:57Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:06:13Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB09488</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>[H]\C(CN1CCCC1)=C(\C1=CC=C(C)C=C1)C1=CC=CC(=N1)C(\[H])=C(/[H])C(O)=O</moldb-smiles>
  <moldb-formula>C22H24N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+</moldb-inchi>
  <moldb-inchikey>PWACSDKDOHSSQD-IUTFFREVSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">348.4382</moldb-average-mass>
  <moldb-mono-mass type="decimal">348.183778022</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>1.71</logp>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1224</chembl-id>
  <chemspider-id>4447574</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"/>
  <chemdb-id>CHEM003603</chemdb-id>
  <dsstox-id>DTXSID6022555</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00003303</susdat-id>
  <iupac>(2E)-3-{6-[(1E)-1-(4-methylphenyl)-3-(pyrrolidin-1-yl)prop-1-en-1-yl]pyridin-2-yl}prop-2-enoic acid</iupac>
  <moldb-polar-surface-area>53.43000000000001</moldb-polar-surface-area>
  <moldb-refractivity>115.08009999999997</moldb-refractivity>
  <moldb-polarizability>39.09482423992762</moldb-polarizability>
  <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.68137138223122</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>8.629973178875698</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>4.29</moldb-alogps-logp>
  <moldb-alogps-logs>-4.54</moldb-alogps-logs>
  <moldb-alogps-solubility>9.94e-03 g/l</moldb-alogps-solubility>
</compound>
