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CHEBI:25879 - pentaerythritol tetranitrate

ChEBI IDCHEBI:25879
ChEBI Namepentaerythritol tetranitrate
Stars
DefinitionA pentaerythritol nitrate in which all four hydroxy groups of pentaerythritol have been converted to the corresponding nitrate ester. It is a vasodilator with properties similar to those of glyceryl trinitrate, but with a more prolonged duration of action, and is used for treatment of angina pectoris. It is also one of the most powerful high explosives known and is a component of the plastic explosive known as Semtex.
Secondary ChEBI IDCHEBI:31976
Last Modified24 May 2024
DownloadsMolfile
FormulaC5H8N4O12
Net Charge0
Average Mass316.135
Monoisotopic Mass316.01387
SMILESO=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
InChIInChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2
InChIKeyTZRXHJWUDPFEEY-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
explosive  A substance capable of undergoing rapid and highly exothermic decomposition.
Application:
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
pentaerythritol tetranitrate (CHEBI:25879) has role explosive (CHEBI:63490)
pentaerythritol tetranitrate (CHEBI:25879) has role vasodilator agent (CHEBI:35620)
pentaerythritol tetranitrate (CHEBI:25879) is a pentaerythritol nitrate (CHEBI:25878)
INNs  Source
tetranitrate de pentaerithrityleChemIDplus
tetranitrato de pentaeritritiloChemIDplus
pentaerithrityli tetranitrasChemIDplus
pentaerithrityl tetranitrateKEGG DRUG
Synonyms  Source
1,3-dinitrato-2,2-bis(nitratomethyl)propaneChemIDplus
3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrateIUPAC
2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrateChemIDplus
tetranitropentaerythritolNIST Chemistry WebBook
nitropentaerythritolChemIDplus
2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate esterChemIDplus
UniProt Name  Source
pentaerythritol tetranitrateUniProt
Manual XrefsDatabases
Pentaerythritol_tetranitrateWikipedia
D01721KEGG DRUG
2087DrugCentral
Registry NumbersSources
Reaxys:1716886Reaxys
CAS:78-11-5ChemIDplus
CAS:78-11-5NIST Chemistry WebBook
CAS:78-11-5KEGG DRUG