Showing Compound Card for 1-Methyl-3-phenylurea (CDB006376)
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| Version | 1.0 | |||||||||||||||
| Created at | 2021-01-13 17:43:29 UTC | |||||||||||||||
| Updated at | 2021-01-13 17:43:30 UTC | |||||||||||||||
| CannabisDB ID | CDB006376 | |||||||||||||||
| Secondary Accession Numbers | Not Available | |||||||||||||||
| Cannabis Compound Identification | ||||||||||||||||
| Common Name | 1-Methyl-3-phenylurea | |||||||||||||||
| Description | 1-Methyl-3-phenylurea belongs to the class of organic compounds known as N-phenylureas. N-phenylureas are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. 1-Methyl-3-phenylurea exists as a white powder and is one of two isomers of methylphenyurea, the other one being 1-methyl-1-phenylurea. Methylphenylureas are found in marijuana (cannabis) smoke. 1-Methyl-3-phenylurea is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). | |||||||||||||||
| Structure |  | |||||||||||||||
| Synonyms | Not Available | |||||||||||||||
| Chemical Formula | C8H10N2O | |||||||||||||||
| Average Molecular Weight | 150.181 | |||||||||||||||
| Monoisotopic Molecular Weight | 150.07931295 | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CN=C(O)NC1=CC=CC=C1 | |||||||||||||||
| InChI Identifier | InChI=1S/C8H10N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,10,11) | |||||||||||||||
| InChI Key | SQBHGDSDVWCPHN-UHFFFAOYSA-N | |||||||||||||||
| Chemical Taxonomy | ||||||||||||||||
| Description | Belongs to the class of organic compounds known as n-phenylureas. N-phenylureas are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group. | |||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||
| Super Class | Benzenoids | |||||||||||||||
| Class | Benzene and substituted derivatives | |||||||||||||||
| Sub Class | N-phenylureas | |||||||||||||||
| Direct Parent | N-phenylureas | |||||||||||||||
| Alternative Parents | ||||||||||||||||
| Substituents |
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| Molecular Framework | Aromatic homomonocyclic compounds | |||||||||||||||
| External Descriptors | Not Available | |||||||||||||||
| Ontology | ||||||||||||||||
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| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
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| Pathways | Not Available | |||||||||||||||
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| Enzymes | Not Available | |||||||||||||||
| Transporters | Not Available | |||||||||||||||
| Metal Bindings | Not Available | |||||||||||||||
| Receptors | Not Available | |||||||||||||||
| Transcriptional Factors | Not Available | |||||||||||||||
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| HMDB ID | Not Available | |||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||
| Chemspider ID | 13280 | |||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||
| BiGG ID | Not Available | |||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||
| METLIN ID | Not Available | |||||||||||||||
| PubChem Compound | 13880 | |||||||||||||||
| PDB ID | Not Available | |||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||
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| General References | Not Available | |||||||||||||||