<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4773</id>
  <title>T3D4718</title>
  <common-name>Uracil mustard</common-name>
  <description>Uracil mustard is only found in individuals that have used or taken this drug. It is a nitrogen mustard derivative of uracil. It is a alkylating antineoplastic agent that is used in lymphatic malignancies, and causes mainly gastrointestinal and bone marrow damage. After activation, uracil mustard binds preferentially to the guanine and cytosine moieties of DNA, leading to cross-linking of DNA, thus inhibiting DNA synthesis and function.</description>
  <cas>66-75-1</cas>
  <pubchem-id>6194</pubchem-id>
  <chemical-formula>C8H11Cl2N3O2</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>206°C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>1070 mg/L</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity>After activation, it binds preferentially to the guanine and cytosine moieties of DNA, leading to cross-linking of DNA, thus inhibiting DNA synthesis and function.</mechanism-of-toxicity>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>2B, possibly carcinogenic to humans. (L135)</carcinogenicity>
  <use-source>Used for its antineoplastic properties.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-09-11T02:06:17Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:56Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/Uracil_mustard</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C11686</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>9884</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB00791</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>OC1=NC=C(N(CCCl)CCCl)C(O)=N1</moldb-smiles>
  <moldb-formula>C8H11Cl2N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C8H11Cl2N3O2/c9-1-3-13(4-2-10)6-5-11-8(15)12-7(6)14/h5H,1-4H2,(H2,11,12,14,15)</moldb-inchi>
  <moldb-inchikey>InChIKey=IDPUKCWIGUEADI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">252.098</moldb-average-mass>
  <moldb-mono-mass type="decimal">251.022832025</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>1.2</logp>
  <hmdb-id>HMDB14929</hmdb-id>
  <chembl-id>CHEMBL1488</chembl-id>
  <chemspider-id>5959</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>
