Record Information |
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Version | 1.0 |
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Created at | 2020-04-27 16:27:00 UTC |
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Updated at | 2021-01-04 20:37:45 UTC |
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CannabisDB ID | CDB005502 |
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Secondary Accession Numbers | Not Available |
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Cannabis Compound Identification |
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Common Name | 1,7-Naphthyridine |
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Description | 1,7-Naphthyridine or 1,7-diazanaphthalene also known as 1,7-pyridopyridine is one of the diazanaphthalene isomers, belongs to the class of organic compounds known as naphthyridines. Naphthyridines are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom. A naphthyridine in which the nitrogens are situated at positions 1 and 7. 1,7-naphthyridine is a strongly basic compound (based on its pKa). Diazanaphthalene isomers have different structure based on their nitrogen positions while the skeleton is same for all isomers. 1,8-diazanaphthalene, 1,6-Diazanaphthalene and 1,5-Diazanaphthalene are some of it's isomers.1,7-Naphthyridine is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). |
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Structure | |
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Synonyms | Value | Source |
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1,7-Diazanaphthalene | ChEBI | 1,7-Pyridopyridine | ChEBI |
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Chemical Formula | C8H6N2 |
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Average Molecular Weight | 130.15 |
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Monoisotopic Molecular Weight | 130.0531 |
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IUPAC Name | 1,7-naphthyridine |
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Traditional Name | 1,7-naphthyridine |
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CAS Registry Number | 253-69-0 |
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SMILES | C1=CC2=CC=NC=C2N=C1 |
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InChI Identifier | InChI=1S/C8H6N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-6H |
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InChI Key | MXBVNILGVJVVMH-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Classification | Not classified |
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Ontology |
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Not Available | Physical Properties |
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State | Not Available |
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Experimental 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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Predicted Properties | [] |
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Spectra |
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EI-MS/GC-MS | Not Available |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | Not Available | 2020-06-30 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | Not Available | 2020-06-30 | View Spectrum |
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NMR | Not Available |
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Pathways |
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Pathways | Not Available |
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Protein Targets |
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Enzymes | Not Available |
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Transporters | Not Available |
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Metal Bindings | Not Available |
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Receptors | Not Available |
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Transcriptional Factors | Not Available |
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Concentrations Data |
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| Not Available |
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External Links |
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HMDB ID | Not Available |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | 8854 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 9209 |
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PDB ID | Not Available |
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ChEBI ID | 36626 |
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References |
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General References | Not Available |
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