Molecular Identity
Nitroglycerin
1,3-dinitrooxypropan-2-yl nitrate
PubChem CID: 4510
Nitroglycerin is a nitroglycerol that is glycerol in which the hydrogen atoms of all three hydroxy groups are replaced by nitro groups. It acts as a prodrug, releasing nitric oxide to open blood vessels and so alleviate heart pain. It has a role as a vasodilator agent, a xenobiotic, a prodrug, a nitric oxide donor, a muscle relaxant, an explosive and a tocolytic agent.
2D Structure
Properties
C3H5N3O9
Molecular Formula
227.09
Molecular Weight
g/mol
227.0026
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
165
TPSA
May have limited oral absorption
0
H-Bond Donors
9
H-Bond Acceptors
218
Complexity
SMILES
Canonical SMILES
SMILES: C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]Isomeric SMILES
SMILES: C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]Synonyms(20)
nitroglycerinGlyceryl trinitrateTrinitroglycerinNitrostatNitroglycerineNitroglycerol55-63-0TrinitroglycerolGlycerol trinitrateNitro-durMinitranTrinitrinNitronetTridilNitroglyn
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Nitroglycerin
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