| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 16:42:46 UTC |
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| Updated at | 2021-01-04 18:49:05 UTC |
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| CannabisDB ID | CDB005658 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | N-ethylanabasined |
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| Description | N-Ethylanabasine is an ethylated derivative of anabasine. It belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. N-Ethylanabasine is also classified as an alkyl-anabasine and one of several structural isomers of ethylanabasine in which the ethyl group is substituted at different positions of the pyridine and piperidine rings. Anabasine is a pyridine alkaloid found in the stem of the (Nicotiana glauca) plant, a close relative of (Nicotiana tabacum) the common tobacco plant. Anabasine is a metabolite of nicotine which can be used as an indicator of a person's exposure to tobacco smoke. N-Ethylanabasine is found in 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 | C12H18N2 |
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| Average Molecular Weight | 190.29 |
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| Monoisotopic Molecular Weight | 190.147 |
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| IUPAC Name | 3-[(2S)-1-ethylpiperidin-2-yl]pyridine |
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| Traditional Name | 3-[(2S)-1-ethylpiperidin-2-yl]pyridine |
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| CAS Registry Number | Not Available |
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| SMILES | CCN1CCCC[C@H]1C1=CN=CC=C1 |
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| InChI Identifier | InChI=1S/C12H18N2/c1-2-14-9-4-3-7-12(14)11-6-5-8-13-10-11/h5-6,8,10,12H,2-4,7,9H2,1H3/t12-/m0/s1 |
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| InChI Key | CYNLOZKJYHZTHH-LBPRGKRZSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. |
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| Kingdom | Organic compounds |
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| Super Class | Alkaloids and derivatives |
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| Class | Not Available |
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| Sub Class | Not Available |
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| Direct Parent | Alkaloids and derivatives |
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| Alternative Parents | |
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| Substituents | - Alkaloid or derivatives
- Aralkylamine
- Pyridine
- Piperidine
- Heteroaromatic compound
- Tertiary aliphatic amine
- Tertiary amine
- Azacycle
- Organoheterocyclic compound
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Amine
- 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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