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Substance Name: Pentaerythritol tetranitrate [USP:JAN]
RN: 78-11-5
UNII: 10L39TRG1Z
InChIKey: TZRXHJWUDPFEEY-UHFFFAOYSA-N

Note

  • A vasodilator with general properties similar to NITROGLYCERIN but with a more prolonged duration of action. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1025)

Molecular Formula

  • C5-H8-N4-O12

Molecular Weight

  • 316.1342
 

Classification Codes

Classification Codes

  • Cardiovascular Agents
  • Drug / Therapeutic Agent
  • Human Data
  • Mutation Data
  • TSCA Flag T (Subject to the Final TSCA Section 4 Test Rule)
  • Tumor Data
  • Vasodilator
  • Vasodilator Agents

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 265
  • 2011 CERCLA Priority List, Rank: 262
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Names and Synonyms

Name of Substance

  • Pentaerithrityl tetranitrate [INN]
  • Pentaerythritol tetranitrate
  • Pentaerythritol tetranitrate [USP:JAN]

MeSH Heading

  • Pentaerythritol tetranitrate

Synonyms

  • 1,3-Dinitrato-2,2-bis(nitratomethyl)propane
  • 1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, dinitrate (ester)
  • 2,2-Bis((nitrooxy)methyl)-1,3-propanediol dinitrate (ester)
  • 2,2-Bis(hydroxymethyl)-1,3-propanediol tetranitrate
  • 2,2-Bisdihydroxymethyl-1,3-propanediol tetranitrate
  • 4-01-00-02816 (Beilstein Handbook Reference)
  • Angicap
  • Angitet
  • Antora
  • Arcotrate
  • Baritrate
  • BRN 1716886
  • C 2
  • C 2 (explosive)
  • Cardiacap
  • CCRIS 2387
  • CHOT
  • Corpent
  • Deltrate 20
  • Deltrate-20
  • Dilcoran 80
  • Dilcoran-80
  • Dipentrate
  • Duotrate
  • EC 201-084-3
  • EINECS 201-084-3
  • El PETN
  • Erinit
  • Erynitum
  • Extex
  • Hasethrol
  • HSDB 6313
  • Kaytrate
  • Lentrat
  • Lowetrate
  • LX 02-1
  • LX 08-0
  • LX 13
  • LX 16 (explosive)
  • Martrate 45
  • Martrate-45
  • Metranil
  • Mikardol
  • Mycardol
  • Myotrate 10
  • NCI-C55743
  • Neo-corovas
  • Neopentanetetrayl nitrate
  • Niperyt
  • Niperyth
  • Nitrin
  • Nitrinal
  • Nitrine
  • Nitrinol
  • Nitro-Riletten
  • Nitrolong
  • Nitropent
  • Nitropenta
  • Nitropenta 7W
  • Nitropentaerythrite
  • Nitropentaerythritol
  • Nitropenton
  • Nitrotalans
  • PBXN 301
  • Pen-Tetra
  • Pencard
  • PENT
  • Penta
  • Pentaerithrityl tetranitrate
  • Pentaerithrityli tetranitras
  • Pentaerithrityli tetranitras [INN-Latin]
  • Pentaeritrile tetranitrato
  • Pentaeritrile tetranitrato [DCIT]
  • Pentaerythrite tetranitrate
  • Pentaerythritol nitrate
  • Pentaerythritol tetranitrate
  • Pentaerythritol tetranitrate, diluted
  • Pentaerythrityl tetranitrate
  • Pentaerythritylium tetranitricum
  • Pentafin
  • Pentanitrine
  • Pentanitrol
  • Pentanitrolum
  • Pentarit
  • Pentestan-80
  • Pentetrate unicelles
  • Penthrit
  • Penthrite
  • Pentitrate
  • Pentral 80
  • Pentrate
  • Pentriol
  • Pentrite
  • Pentritol
  • Pentritol Tempules
  • Pentryate
  • Pentryate 80
  • Pergitral
  • Peridex
  • Peridex-LA
  • Peritrate
  • Perityl
  • PETN
  • Prevangor
  • Quintrate
  • Rythritol
  • SDM No. 23
  • SDM No. 35
  • Subicard
  • Tanipent
  • TEN [Vasodilator]
  • Tentrate-20
  • Terpate
  • Tetranitrate de pentaerithrityle
  • Tetranitrate de pentaerithrityle [INN-French]
  • Tetranitrate de pentaerythrityle
  • Tetranitrato de pentaeritritilo
  • Tetranitrato de pentaeritritilo [INN-Spanish]
  • Tetranitropentaerythrite
  • Tetrasule
  • Tranite D-lay
  • UNII-10L39TRG1Z
  • Vasitol
  • Vaso-80
  • Vaso-80 unicelies
  • Vasodiatol
  • Vasolat
  • XTX 8003

Systematic Names

  • 1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, 1,3-dinitrate
  • 1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, dinitrate (ester)
  • Pentaerithrityl tetranitrate
  • Pentaerythritol, tetranitrate

Superlist Names

  • NA0150
  • Pentaerythrite tetranitrate (dry)
  • Pentaerythrite tetranitrate (dry) [Forbidden]
  • 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]
  • Pentaerythrite tetranitrate or pentaerythritol tetranitrate or PETN, with not <7% wax by mass
  • Pentaerythrite tetranitrate or pentaerythritol tetranitrate or PETN, with not <7% wax by mass [UN0411] [Explosive 1.1D]
  • Pentaerythrite tetranitrate, wetted with not < 25% water, by mass or desensitized with not < 15% phlegmatizer, by mass
  • Pentaerythrite tetranitrate, with not < 7% water, by mass
  • Pentaerythritol tetranitrate
  • Pentaerythritol, tetranitrate
  • UN0411

Mixture Names

  • Miltrate
  • SDM No. 23
  • SDM No. 35

Registry Numbers

CAS Registry Number

  • 78-11-5

FDA UNII

  • 10L39TRG1Z

Other Registry Numbers

  • 103842-90-6
  • 108736-71-6
  • 53025-84-6

System Generated Number

  • 0000078115

Structure Descriptors

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

C(CO[N+](=O)[O-])(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 1669mg/kg/8Y- (1669mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" British Journal of Dermatology. Vol. 87, Pg. 498, 1972.
mouse LD50 intraperitoneal > 5gm/kg (5000mg/kg) VASCULAR: REGIONAL OR GENERAL ARTERIOLAR OR VENOUS DILATION Archives Internationales de Pharmacodynamie et de Therapie. Vol. 131, Pg. 187, 1961.
mouse LDLo oral 7gm/kg (7000mg/kg)   Farmatsevtichnii Zhurnal Vol. 16(2), Pg. 63, 1961.
rat LD50 intravenous 926mg/kg (926mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 759, 1967.
rat LD50 oral 1660mg/kg (1660mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 9, Pg. 759, 1967.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 140.5 deg C   EXP
log P (octanol-water) 2.380 (none)   EST
Water Solubility 43 mg/L 25 EXP
Henry's Law Constant 1.20E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.62E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.