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CHEBI:28787 - nitroglycerin
| Formula | C3H5N3O9 |
| Net Charge | 0 |
| Average Mass | 227.085 |
| Monoisotopic Mass | 227.00258 |
| SMILES | O=[N+]([O-])OCC(CO[N+](=O)[O-])O[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 |
| InChIKey | SNIOPGDIGTZGOP-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Roles: | nitric oxide donor An agent, with unique chemical structure and biochemical requirements, which generates nitric oxide. explosive A substance capable of undergoing rapid and highly exothermic decomposition. |
| Biological Role: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| Applications: | prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. muscle relaxant A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis. tocolytic agent Any compound used to suppress premature labour and immature birth by suppressing uterine contractions. vasodilator agent A drug used to cause dilation of the blood vessels. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| nitroglycerin (CHEBI:28787) has role explosive (CHEBI:63490) |
| nitroglycerin (CHEBI:28787) has role muscle relaxant (CHEBI:51371) |
| nitroglycerin (CHEBI:28787) has role nitric oxide donor (CHEBI:50566) |
| nitroglycerin (CHEBI:28787) has role prodrug (CHEBI:50266) |
| nitroglycerin (CHEBI:28787) has role tocolytic agent (CHEBI:66993) |
| nitroglycerin (CHEBI:28787) has role vasodilator agent (CHEBI:35620) |
| nitroglycerin (CHEBI:28787) has role xenobiotic (CHEBI:35703) |
| nitroglycerin (CHEBI:28787) is a nitroglycerol (CHEBI:25560) |
| IUPAC Name |
|---|
| 1,2,3-trinitrooxypropane |
| Synonyms | Source |
|---|---|
| Nitroglycerin | KEGG COMPOUND |
| Glyceryl trinitrate | KEGG COMPOUND |
| glycerol trinitrate | NIST Chemistry WebBook |
| glycerin trinitrate | NIST Chemistry WebBook |
| NG | NIST Chemistry WebBook |
| 1,2,3-propanetriyl nitrate | NIST Chemistry WebBook |
| Brand Names | Source |
|---|---|
| Minitran | DrugBank |
| Nitro-Dur | DrugBank |
| Natispray | DrugBank |
| Nitrolingual | DrugBank |
| Nitromist | ChEBI |
| Rectogesic | DrugBank |
| UniProt Name | Source |
|---|---|
| nitroglycerin | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C07455 | KEGG COMPOUND |
| C07455 | KEGG COMPOUND |
| c0061 | UM-BBD |
| DB00727 | DrugBank |
| D00515 | KEGG DRUG |
| Nitroglycerin | Wikipedia |
| Glyceryl_trinitrate_(pharmacology) | Wikipedia |
| 1952 | DrugCentral |
| Citations |
|---|