| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:42:10 UTC |
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| Updated at | 2021-01-04 18:49:05 UTC |
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| CannabisDB ID | CDB005652 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | N-Acetylanatabine |
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| Description | N-Acetylanatabine or 1-(3,6-dihydro-2,3'-bipyridin-1(2h)-yl)ethanone is an acetylated derivative of anatabine in which the acetyl functional group is substituted on the nitrogen of the hydrogenated pyridine. It belongs to the class of organic compounds known as hydropyridines. Hydropyridines are compounds containing a hydrogenated pyridine ring (i.e. containing less than the maximum number of double bonds). N-Acetylanatabine also belongs to the group of compounds known as bipyridines. Bipyridines are organic compounds containing two pyridine rings linked to each other. Anatabine is a minor alkaloid found in the family of plants known as Solanaceae, which includes tobacco and tomato plants. N-Acetylanatabine 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 | C12H14N2O |
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| Average Molecular Weight | 202.26 |
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| Monoisotopic Molecular Weight | 202.1106 |
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| IUPAC Name | 1-{1,2,3,6-tetrahydro-[2,3'-bipyridine]-1-yl}ethan-1-one |
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| Traditional Name | 1-{3,6-dihydro-2H-[2,3'-bipyridine]-1-yl}ethanone |
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| CAS Registry Number | 61892-64-6 |
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| SMILES | CC(=O)N1CC=CCC1C1=CN=CC=C1 |
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| InChI Identifier | InChI=1S/C12H14N2O/c1-10(15)14-8-3-2-6-12(14)11-5-4-7-13-9-11/h2-5,7,9,12H,6,8H2,1H3 |
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| InChI Key | CAYYVQDGGHLYMO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as hydropyridines. Hydropyridines are compounds containing a hydrogenated pyridine ring (i.E. Containing less than the maximum number of double bonds.). |
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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 | Hydropyridines |
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| Direct Parent | Hydropyridines |
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| Alternative Parents | |
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| Substituents | - Hydropyridine
- Tertiary carboxylic acid amide
- Acetamide
- Heteroaromatic compound
- Carboxamide group
- Azacycle
- Carboxylic acid derivative
- Hydrocarbon derivative
- Carbonyl group
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic 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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