| Record Information |
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| Version | 1.0 |
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| Created at | 2021-01-13 17:43:26 UTC |
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| Updated at | 2021-01-13 17:43:27 UTC |
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| CannabisDB ID | CDB006375 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 1-Ethylbenzo(e)pyrene |
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| Description | 1-Ethylbenzo(e)pyrene is a polycyclic aromatic hydrocarbon with the chemical formula C22H16. 1-Ethylbenzo(e)pyrene is an ethylated derivative of benzo(e)pyrene. Benzo(e)pyrene is listed as a Group 3 carcinogen by the IARC. 1-Ethylbenzo(e)pyrene is possibly neutral. 1-Ethylbenzo(e)pyrene is formed during the combustion of cannabis and it can be found in cannabis smoke. 1-Ethylbenzo(e)pyrene is an ethyl derivative of benzo(e)pyrene. Benzo[e]pyrene is one of over 100 different polycyclic aromatic hydrocarbons (PAHs). PAHs are chemicals that are formed during the incomplete burning of organic substances, such as fossil fuels. They are usually found as a mixture containing two or more of these compounds (T3DB). |
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| Structure | |
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| Synonyms | | Value | Source |
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| 1-Methylbenzo(e)pyrene | MeSH | | 1-MBEP | MeSH |
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| Chemical Formula | C21H14 |
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| Average Molecular Weight | 266.343 |
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| Monoisotopic Molecular Weight | 266.109550451 |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | Not Available |
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| SMILES | CC1=C2C3=CC=CC=C3C3=CC=CC4=C3C2=C(C=C1)C=C4 |
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| InChI Identifier | InChI=1S/C21H14/c1-13-9-10-15-12-11-14-5-4-8-18-16-6-2-3-7-17(16)19(13)21(15)20(14)18/h2-12H,1H3 |
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| InChI Key | XDJHCQPWMRCILL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Pyrenes |
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| Sub Class | Benzopyrenes |
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| Direct Parent | Benzopyrenes |
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| Alternative Parents | |
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| Substituents | - Benzo-e-pyrene
- Triphenylene
- Phenanthrene
- Anthracene
- Aromatic hydrocarbon
- Polycyclic hydrocarbon
- Unsaturated hydrocarbon
- Hydrocarbon
- Aromatic homopolycyclic compound
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| Molecular Framework | Aromatic homopolycyclic compounds |
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| External Descriptors | Not Available |
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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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