Compound: PENTAERYTHRITOL TETRANITRATE
SMILES: O=[N+](OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])[O-]
InChIKey: TZRXHJWUDPFEEY-UHFFFAOYSA-N
Synonyms: PENTAERYTHRITOL TETRANITRATE, PETN, Penthrite, Nitropenta, Peritrate, Nitropentaerythrite, Pentaerithrityl tetranitrate, Nitropentaerythritol, 78-11-5, Penthrit, Vasodiatol, Baritrate, Nitropenton, Pentafin, Pentanitrine, Pentanitrol, Pentritol, Quintrate, Angicap, Antora, Corpent, Erinit, Perityl, Peridex-LA, Pentritol tempules, Dipentrate, Nitrotalans, Pentitrate, Angitet, Arcotrate, Cardiacap, Deltrate-20, Duotrate, Hasethrol, Kaytrate, Lentrat, Lowetrate, Metranil, Mycardol, Niperyt, Niperyth, Nitrolong, Nitropent, Pencard, Pentaerythrityl tetranitrate, Pentrate, Pentrite, Pentryate, Pergitral, Prevangor, Rythritol, Subicard, Tanipent, Terpate, Tetrasule, Vasitol, Extex, Neopentanetetrayl nitrate, Neo-Corovas, CHOT, PENT, Nitropenta 7W, Tetranitropentaerythrite, Tranite D-Lay, Pentestan-80, Pentryate 80, Dilcoran-80, Martrate-45, Myotrate 10, Tentrate-20, Pentanitrolum, Erynitum, Mikardol, Nitrinol, Pentarit, Pentetrate Unicelles, Pentral 80, Pentriol, Pentaerythrite tetranitrate, El PETN, Tetranitropentaerythritol, Deltrate 20, Dilcoran 80, Martrate 45, Pentaerythritylium tetranitricum, Vaso-80 unicelies, Pentalong, Pentaerythritol nitrate, 1,3-Dinitrato-2,2-bis(nitratomethyl)propane, LX 16 (explosive), 2,2-Bis(hydroxymethyl)-1,3-propanediol tetranitrate, Vaso-80, Tetranitrato de pentaeritritilo, Tetranitrate de pentaerithrityle, Pentaerithrityli tetranitras, Pentaerythritol, tetranitrate, XTX 8003, SDM No. 23, Pentrinat, DTXSID2023430, Pentaeritrile tetranitrato, PETN, NF, NCI-C55743, Pentaerythritol tetranitrate, diluted, 10L39TRG1Z, 1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, dinitrate (ester), 2,2-Bisdihydroxymethyl-1,3-propanediol tetranitrate, Pentaerithritol tetranitrate, 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester), 3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate, DTXCID901109, 2,2-Bis((nitrooxy)methyl)-1,3-propanediol dinitrate (ester), CHEBI:25879, 2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate, 2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate ester, 2,2-Bis[(nitrooxy)methyl]-1,3-propanediol dinitrate (ester), Pentalog, 3-(Nitrooxy)-2,2-bis((nitrooxy)methyl)propyl nitrate, Tetranitrate, Pentaerythritol, Peritrate sa, RefChem:859750, pentaerithrytol tetranitrate, pentaerithritylis tetranitras, tAtranitrate de pentaArythrityle, A06AD14, C01DA05, 1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, Dinitrate(ester), 201-084-3, 2,2-Bis((acetyloxy)methyl)-1,3-propanediol diacetate, SDM No. 35, Nitrinal, Nitro-Riletten, Pen-Tetra, C 2 (explosive), [3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate, Pentaerythritol tetranitrate with 80% d-lactose monohydrate, Pentaerithrityl tetranitrate [INN], NCGC00159388-02, 1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, 1,3-dinitrate, Pentaerithrityl tetranitrate (INN), Pentaerythritol tetranitrate (JAN), CAS-78-11-5, PENTAERYTHRITOL TETRANITRATE [JAN], TEN [Vasodilator], CCRIS 2387, PBXN 301, Tetranitrate de pentaerythrityle, HSDB 6313, LX 13, Pentaeritrile tetranitrato [DCIT], EINECS 201-084-3, NA0150, UN0411, LX 02-1, LX 08-0, BRN 1716886, UNII-10L39TRG1Z, Pentafilin, Pentaerithrityli tetranitras [INN-Latin], Tetranitrate de pentaerithrityle [INN-French], Tetranitrato de pentaeritritilo [INN-Spanish], Vaso-80 Unicelles, Miltrate (Salt/Mix), Pentaerythritol tetranitrate [USP:JAN], Pentritol tempules (TN), Pentaerythrite tetranitrate (dry) [Forbidden], EC 201-084-3, SCHEMBL37177, 4-01-00-02816 (Beilstein Handbook Reference), SDM No. 23 (Salt/Mix), SDM No. 35 (Salt/Mix), CHEMBL466659, P.E.T.N., Pentaerythrite tetranitrate (dry), Pentaerythrite tetranitrate, with not < 7% water, by mass, Tox21_111624, Tox21_301747, c0051, EBC-26766, DB06154, NCGC00159388-03, NCGC00159388-04, NCGC00159388-05, NCGC00255290-01, PENTAERYTHRITOL TETRANITRATE [MI], Pentaerythrite tetranitrate, wetted with not < 25% water, by mass or desensitized with not < 15% phlegmatizer, by mass, PENTAERYTHRITOL TETRANITRATE [HSDB], PENTAERITHRITYL TETRANITRATE [MART.], PENTAERYTHRITOL TETRANITRATE [VANDF], NS00003407, PENTAERITHRITYL TETRANITRATE [WHO-DD], D01721, EN300-18536597, Q189334, 2,2-Bis(hydroxy-methyl)-1,3-propanediol tetranitrate, 2,2-Bis[(nitrooxy)methyl]propane-1,3-diyl dinitrate, 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate, 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate   (ester), Pentaerythrite tetranitrate or pentaerythritol tetranitrate or PETN, wetted with not <25% water, by mass or pentaerythrite tetranitrate or pentaerythritol tetranitrate or PETN, desensitized with not <15% phlegmatizer by mass, Pentaerythrite tetranitrate or pentaerythritol tetranitrate or PETN, wetted with not <25% water, by mass or pentaerythrite tetranitrate or pentaerythritol tetranitrate or PETN, desensitized with not <15% phlegmatizer by mass [NA0150]  [Explosive 1.1A]
Theoretical properties:
molecular_formula: C5H8N4O12
molecular_weight: 316.14 g/mol
exact_mass: 316.01387170 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 12
rotatable_bond_count: 8
heavy_atom_count: 21
topological_polar_surface_area: 220 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Tetragonal holohedra from acetone + alcohol
color: Tetragonal holohedra from acetone + alcohol
odor: Faint, mild odor
boiling_point: Explodes at 205-215 °C
density: 1.773 at 20 °C/4 °C
solubility: less than 1 mg/mL at 72 °F (NTP, 1992)
vapor_pressure: 0.00000014 [mmHg]
Descriptions:
pubchem: Pentaerythritol tetranitrate is 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. It has a role as a vasodilator agent and an explosive.
chebi: 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.
chembl: PENTAERYTHRITOL TETRANITRATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Pentaerythritol tetranitrate (PETN), also known as PENT, pentyl, TEN (tetraeritrit nitrate, primarily in Russian), corpent, or penthrite (or, rarely and primarily in German, as nitropenta), is an explosive material. It is the nitrate ester of pentaerythritol, and is structurally very similar to nitroglycerin. Penta refers to the five carbon atoms of the neopentane skeleton. PETN is a very powerful explosive material with a relative effectiveness factor of 1.66. When mixed with a plasticizer, PTNGR forms a plastic explosive. Along with RDX it is the main ingredient of Semtex.
PETN is also used as a vasodilator drug to treat certain heart conditions, such as for management of angina.