Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2021-09-11 16:39:45 UTC |
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Update Date | 2021-09-26 23:11:52 UTC |
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HMDB ID | HMDB0256305 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Perampanel |
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Description | Perampanel, also known as fycompa or e 2007, belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other. Perampanel is a drug which is used in patients over 12 years old for the treatment of partial-onset seizures that may or may not occur with generalized seizures. Based on a literature review a significant number of articles have been published on Perampanel. This compound has been identified in human blood as reported by (PMID: 31557052 ). Perampanel is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Perampanel is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. |
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Structure | O=C1N(C=C(C=C1C1=CC=CC=C1C#N)C1=NC=CC=C1)C1=CC=CC=C1 InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H |
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Synonyms | Value | Source |
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3-(2-Cyanophenyl)-5-(2-pyridyl)-1-phenyl-1,2-dihydropyridin-2-one | ChEBI | e 2007 | ChEBI | e2007 | ChEBI | ER-155055-90 | ChEBI | Fycompa | ChEBI | Perampanelum | ChEBI | Perampanel | MeSH |
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Chemical Formula | C23H15N3O |
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Average Molecular Weight | 349.393 |
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Monoisotopic Molecular Weight | 349.121512115 |
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IUPAC Name | 2-{6'-oxo-1'-phenyl-1',6'-dihydro-[2,3'-bipyridine]-5'-yl}benzonitrile |
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Traditional Name | 2-{6'-oxo-1'-phenyl-[2,3'-bipyridine]-5'-yl}benzonitrile |
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CAS Registry Number | Not Available |
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SMILES | O=C1N(C=C(C=C1C1=CC=CC=C1C#N)C1=NC=CC=C1)C1=CC=CC=C1 |
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InChI Identifier | InChI=1S/C23H15N3O/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19/h1-14,16H |
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InChI Key | PRMWGUBFXWROHD-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Pyridines and derivatives |
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Sub Class | Bipyridines and oligopyridines |
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Direct Parent | Bipyridines and oligopyridines |
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Alternative Parents | |
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Substituents | - Bipyridine
- 3-phenylpyridine
- Benzonitrile
- Dihydropyridine
- Pyridinone
- Monocyclic benzene moiety
- Hydropyridine
- Benzenoid
- Heteroaromatic compound
- Lactam
- Nitrile
- Carbonitrile
- Azacycle
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Aromatic heteromonocyclic compound
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Molecular Framework | Aromatic heteromonocyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - Perampanel GC-MS (Non-derivatized) - 70eV, Positive | splash10-00di-0469000000-9c978bb36710378f83a4 | 2021-09-23 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Perampanel GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perampanel 10V, Positive-QTOF | splash10-0udi-0009000000-e929408a19d152f121df | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perampanel 20V, Positive-QTOF | splash10-0udi-0019000000-31f4aab1483a1146e7bf | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perampanel 40V, Positive-QTOF | splash10-0ufr-9888000000-b346a2ade3904419f36f | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perampanel 10V, Negative-QTOF | splash10-0002-0009000000-d567979320b953b08a32 | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perampanel 20V, Negative-QTOF | splash10-0002-0029000000-80c8f35c54d1c0ccbff2 | 2017-07-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Perampanel 40V, Negative-QTOF | splash10-0gdm-4697000000-6b03f33843cbae35091d | 2017-07-26 | Wishart Lab | View Spectrum |
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