CHEBI:25879 - pentaerythritol tetranitrate

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ChEBI Name pentaerythritol tetranitrate
ChEBI ID CHEBI:25879
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:31976
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Formula C5H8N4O12
Net Charge 0
Average Mass 316.13660
Monoisotopic Mass 316.014
InChI InChI=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
InChIKey TZRXHJWUDPFEEY-UHFFFAOYSA-N
SMILES [O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O
Roles Classification
Chemical Role(s): explosive
A substance capable of undergoing rapid and highly exothermic decomposition.
Application(s): vasodilator agent
A drug used to cause dilation of the blood vessels.
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ChEBI Ontology
Outgoing 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 Sources
pentaerithrityl tetranitrate KEGG DRUG
pentaerithrityli tetranitras ChemIDplus
tetranitrate de pentaerithrityle ChemIDplus
tetranitrato de pentaeritritilo ChemIDplus
Synonyms Sources
1,3-dinitrato-2,2-bis(nitratomethyl)propane ChemIDplus
2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate ChemIDplus
2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate ester ChemIDplus
2,2-bis(hydroxymethyl)-1,3-propanediol tetranitrate NIST Chemistry WebBook
3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate IUPAC
corpent ChemIDplus
neopentanetetrayl nitrate ChemIDplus
nitropenta ChemIDplus
nitropentaerythrite ChemIDplus
nitropentaerythritol ChemIDplus
PENT ChemIDplus
pentaerythritylium tetranitricum ChemIDplus
penthrite ChemIDplus
PETN ChemIDplus
TEN ChemIDplus
tetranitropentaerythritol NIST Chemistry WebBook
Manual Xrefs Databases
2087 DrugCentral
D01721 KEGG DRUG
Pentaerythritol_tetranitrate Wikipedia
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Registry Numbers Types Sources
1716886 Reaxys Registry Number Reaxys
78-11-5 CAS Registry Number KEGG DRUG
78-11-5 CAS Registry Number NIST Chemistry WebBook
78-11-5 CAS Registry Number ChemIDplus
Last Modified
06 March 2017