<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3117</id>
  <title>T3D3075</title>
  <common-name>Brucine</common-name>
  <description>Brucine is a plant toxin found in several species, most notably the Strychnine tree (Strychnos nux-vomica L.). Medically, brucine is primarily used in the regulation of high blood pressure and other comparatively benign cardiac ailments. (L1227)</description>
  <cas>357-57-3</cas>
  <pubchem-id>442021</pubchem-id>
  <chemical-formula>C23H26N2O4</chemical-formula>
  <weight>394.46354</weight>
  <appearance>White powder.</appearance>
  <melting-point>178°C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>3.2 mg/mL at 15°C [YALKOWSKY,SH &amp; DANNENFELSER,RM (1992)]</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral (ingestion) (L1817) ; dermal (L1817)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Brucine acts as an antagonist at the inhibitory or strychnine-sensitive glycine receptor, a ligand-gated chloride channel in the spinal cord and the brain. (L1230)</mechanism-of-toxicity>
  <metabolism nil="true"/>
  <toxicity>LD50: 4 mg/kg (Oral, Rat) (T14)
LD50: 91 mg/kg (Intraperitoneal, Rat) (T14)
LD50: 60 mg/kg (Subcutaneous, Rat) (T14)</toxicity>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Brucine is a plant toxin found in several species, most notably the Strychnine tree (Strychnos nux-vomica L.). Medically, brucine is primarily used in the regulation of high blood pressure and other comparatively benign cardiac ailments. (L1227)</use-source>
  <min-risk-level nil="true"/>
  <health-effects>Death may result from asphyxia or sheer exhaustion. (L1227)</health-effects>
  <symptoms>Brucine causes muscular convulsions of increasing intensity and frequency and eventually death through asphyxia or sheer exhaustion. (L1227)</symptoms>
  <treatment>Treatment of brucine poisoning involves an oral application of an activated charcoal infusion to absorb any poison within the digestive tract that has not yet been absorbed into the blood. Anticonvulsants such as phenobarbital or diazepam are administered to control convulsions, along with muscle relaxants such as dantrolene to combat muscle rigidity. (L1228)</treatment>
  <created-at type="dateTime">2009-07-23T18:26:04Z</created-at>
  <updated-at type="dateTime">2026-03-26T21:22:19Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/Brucine</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C09084</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Brucine</stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id>7136</actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>COC1=CC2=C(C=C1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC34</moldb-smiles>
  <moldb-formula>C23H26N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3</moldb-inchi>
  <moldb-inchikey>RRKTZKIUPZVBMF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">394.4635</moldb-average-mass>
  <moldb-mono-mass type="decimal">394.18925733</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>9270</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>CHEM002413</chemdb-id>
  <dsstox-id>DTXSID2024662</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00003564</susdat-id>
  <iupac>4,5-dimethoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2(7),3,5,14-tetraen-9-one</iupac>
</compound>
