nitroglycerin   Click here for help

GtoPdb Ligand ID: 7053

Synonyms: glyceryl trinitrate | Glytrin® | Minitran® | Rectogesic®
Approved drug PDB Ligand
nitroglycerin is an approved drug (FDA (no history prior to 1981))
Compound class: Synthetic organic
Comment: Nitroglycerin acts as a vasodilator.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 157.11
Molecular weight 227
XLogP 0.98
No. Lipinski's rules broken 0
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Canonical SMILES [O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]
Isomeric SMILES [O-][N+](=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]
InChI InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
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Molecular structure representations generated using Open Babel