<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4082</id>
  <title>T3D4028</title>
  <common-name>(S)-2-Propylpiperidine</common-name>
  <description>(S)-2-Propylpiperidine is found in black elderberry. (S)-2-Propylpiperidine is an alkaloid of Amorphophalus rivieri (devil's tongue). (S)-2-Propylpiperidine belongs to the family of Alkaloids and Derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.</description>
  <cas>458-88-8</cas>
  <pubchem-id>9985</pubchem-id>
  <chemical-formula>C8H17N</chemical-formula>
  <weight nil="true"/>
  <appearance></appearance>
  <melting-point>-2°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility>18 mg/mL</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>(S)-2-Propylpiperidine is a neurotoxin which disrupts the peripheral nervous system. It is toxic to humans and all classes of livestock; less than 0.2g is fatal to humans, with death caused by respiratory paralysis. Propylpiperidine has a nicotine-like action in first stimulating and then depressing autonomic ganglia, and a curare-like effect in paralysing the motor nerve endings to the skeletal muscles.</mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose>Less than 0.2g is fatal to humans.</lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>(S)-2-Propylpiperidine is found in black elderberry.</use-source>
  <min-risk-level></min-risk-level>
  <health-effects>Disruption of the peripheral nervous system; respiratory paralysis; death.</health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-08-29T04:49:28Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:36Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C06523</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>127791</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCC1CCCCN1</moldb-smiles>
  <moldb-formula>C8H17N</moldb-formula>
  <moldb-inchi>InChI=1/C8H17N/c1-2-5-8-6-3-4-7-9-8/h8-9H,2-7H2,1H3</moldb-inchi>
  <moldb-inchikey>InChIKey=NDNUANOUGZGEPO-UHFFFAOYNA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">127.2273</moldb-average-mass>
  <moldb-mono-mass type="decimal">127.136099549</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp></logp>
  <hmdb-id>HMDB30285</hmdb-id>
  <chembl-id>CHEMBL2287063</chembl-id>
  <chemspider-id>9591</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>
