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 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C5H8N4O12 Net Charge 0 Average Mass 316.13660 Monoisotopic Mass 316.01387 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. View more via ChEBI Ontology 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 View more database links 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