| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:51:00 UTC |
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| Updated at | 2021-01-04 18:49:13 UTC |
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| CannabisDB ID | CDB005740 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 5,5-Diphenylimidazolid-4-one |
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| Description | 5,5-Diphenylimidazolid-4-one also known as Doxenitoin belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Doxenitoin has a phenytoin-like structure, the only difference being reduction of the carbonyl at the 2-position to a methylene group. Doxenitoin or 5,5-Diphenylimidazolid-4-one is a drug derived from phenytoin and has a significant anticonvulsant potency. It was developed as an antiepileptic agent (PMID: 13803201 ). 5,5-Diphenylimidazolid-4-one is moderately soluble in glacial acetic acid but practically insoluble in water. 5,5-Diphenylimidazolid-4-one is a constituent of cannabis smoke and is formed during the combustion of cannabis ( Ref:DOI ). |
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| Structure | |
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| Synonyms | Not Available |
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| Chemical Formula | C15H14N2O |
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| Average Molecular Weight | 238.29 |
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| Monoisotopic Molecular Weight | 238.1106 |
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| IUPAC Name | 5,5-diphenyl-2,5-dihydro-1H-imidazol-4-ol |
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| Traditional Name | 5,5-diphenyl-1,2-dihydroimidazol-4-ol |
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| CAS Registry Number | 3254-93-1 |
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| SMILES | OC1=NCNC1(C1=CC=CC=C1)C1=CC=CC=C1 |
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| InChI Identifier | InChI=1S/C15H14N2O/c18-14-15(17-11-16-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,17H,11H2,(H,16,18) |
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| InChI Key | FEJIIZAOQRTGPC-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 | | Type | Description | Splash Key | View |
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| Predicted GC-MS | 5,5-Diphenylimidazolid-4-one, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | 5,5-Diphenylimidazolid-4-one, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | | Predicted GC-MS | 5,5-Diphenylimidazolid-4-one, 2 TMS, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| 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 | | 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 |
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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 | 17588 |
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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 | 18622 |
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| PDB ID | Not Available |
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| ChEBI ID | Not Available |
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| References |
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| General References | - BOUDIN G, BARBIZET J, LABRAM C: [Experimentation with a new antiepileptic drug derived from phenytoin: 5,5-diphenyltetrahydroimidazole-4-one (glior)]. Therapie. 1959;14:994-9. [PubMed:13803201 ]
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