Molecular Identity
Pentaerythritol Tetranitrate
[3-nitrooxy-2,2-bis(nitrooxymethyl)propyl] nitrate
PubChem CID: 6518
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.
2D Structure
Properties
C5H8N4O12
Molecular Formula
316.14
Molecular Weight
g/mol
316.0139
Exact Mass
Da
1.4
XLogP
Drug-like (Lipinski: < 5)
220
TPSA
May have limited oral absorption
0
H-Bond Donors
12
H-Bond Acceptors
311
Complexity
SMILES
Canonical SMILES
SMILES: C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-]Isomeric SMILES
SMILES: C(C(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-])O[N+](=O)[O-]Synonyms(20)
PENTAERYTHRITOL TETRANITRATEPETNPenthriteNitropentaPeritrateNitropentaerythritePentaerithrityl tetranitrate78-11-5NitropentaerythritolPenthritVasodiatolBaritrateNitropentonPentafinPentanitrine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pentaerythritol Tetranitrate
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