<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3607</id>
  <title>T3D3558</title>
  <common-name>Cellulose nitrate</common-name>
  <description>Cellulose nitrate is a highly flammable compound formed by nitrating cellulose through exposure to nitric acid or another powerful nitrating agent. It can be used as a propellant, low-order explosive, film base, laquer, wound dressing, and carrier of topical medications. Nitrite is a toxic compound known to cause methemoglobinemia. (L1137,  L1624)</description>
  <cas>9004-70-0</cas>
  <pubchem-id>44135439</pubchem-id>
  <chemical-formula>C20H16N4</chemical-formula>
  <weight>312.36784</weight>
  <appearance>White powder.</appearance>
  <melting-point>160-170°C (ignites)</melting-point>
  <boiling-point></boiling-point>
  <density></density>
  <solubility></solubility>
  <specific-gravity></specific-gravity>
  <flash-point></flash-point>
  <vapour-pressure></vapour-pressure>
  <route-of-exposure>Oral (L1137)  ;inhalation  (L1137)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Nitrate's toxicity is a result of it's conversion to nitrite once in the body. Nitrite causes the autocatalytic oxidation of oxyhemoglobin to hydrogen peroxide and methemoglobin. This elevation of methemoglobin levels is a condition known as methemoglobinemia, and is characterized by tissue hypoxia, as methemoglobin cannot bind oxygen. (A2450, L1613)</mechanism-of-toxicity>
  <metabolism>Intake of some amount of nitrates and nitrites is a normal part of the nitrogen cycle in humans. In vivo conversion of nitrates to nitrites can occur in the gastrointestional tract under the right conditions, significantly enhancing nitrates' toxic potency. The major metabolic pathway for nitrate is conversion to nitrite, and then to ammonia. Nitrites, nitrates, and their metabolites are excreted in the urine. (L1137)</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>Ingested nitrate or nitrite under conditions that result in endogenous nitrosation is probably carcinogenic to humans (Group 2A). (L135)</carcinogenicity>
  <use-source>It can be used as a propellant, low-order explosive, film base, laquer, wound dressing, and carrier of topical medications.</use-source>
  <min-risk-level nil="true"/>
  <health-effects>Nitrate and nitrite poisoning causes methemoglobinemia. Nitrites may cause pregnancy complications and developmental effects. They may also be carcinogenic. (L1137)</health-effects>
  <symptoms>Nitrate and nitrite poisoning causes methemoglobinemia. Symptoms include cyanosis, cardiac dysrhythmias and circulatory failure, and progressive central nervous system (CNS) effects. CNS effects can range from mild dizziness and lethargy to coma and convulsions. (L1137)</symptoms>
  <treatment>Methemoglobinemia can be treated with supplemental oxygen and methylene blue 1% solution administered intravenously slowly over five minutes followed by IV flush with normal saline. Methylene blue restores the iron in hemoglobin to its normal (reduced) oxygen-carrying state. (L1613)</treatment>
  <created-at type="dateTime">2009-08-05T16:56:17Z</created-at>
  <updated-at type="dateTime">2026-04-06T01:13:19Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/Nitrocellulose</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Cellulose nitrate</stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id>12323</actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[N-](C1=NN(C=[N+]1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C20H16N4</moldb-formula>
  <moldb-inchi>InChI=1S/C20H16N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-16H</moldb-inchi>
  <moldb-inchikey>CWGBFIRHYJNILV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">312.3678</moldb-average-mass>
  <moldb-mono-mass type="decimal">312.137496532</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM002547</chemdb-id>
  <dsstox-id>DTXSID5062269</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00093639</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>30.93</moldb-polar-surface-area>
  <moldb-refractivity>103.72280000000003</moldb-refractivity>
  <moldb-polarizability>34.99923775412606</moldb-polarizability>
  <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.2216426642613794</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-4.14498405458868</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>1.20</moldb-alogps-logp>
  <moldb-alogps-logs>-5.01</moldb-alogps-logs>
  <moldb-alogps-solubility>3.57e-03 g/l</moldb-alogps-solubility>
</compound>
