| Record Information |
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| Version | 1.0 |
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| Created at | 2020-04-27 17:21:43 UTC |
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| Updated at | 2021-01-06 19:07:01 UTC |
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| CannabisDB ID | CDB006024 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 4-Methyl-alpha-carboline |
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| Description | 4-Methyl-alpha-carboline also known as 4-Methyl-9H-pyrido[2,3-b]indole, belongs to the class of organic compounds known as alpha carbolines. These are organic compounds containing a pyrido[2,3-b]indole core (which is a pyridine fused to an indole). 4-Methyl-alpha-carboline is a moderately basic compound (based on its pKa). 4-Methyl-alpha-carboline is formed during the combustion of cannabis and is therefore a constituent of cannabis smoke ( Ref:DOI ). |
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| Structure | |
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| Synonyms | | Value | Source |
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| 4-Methyl-alpha-carboline | MeSH | | 4-Methyl-alpha-carboline monohydrochloride | MeSH |
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| Chemical Formula | C12H10N2 |
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| Average Molecular Weight | 182.23 |
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| Monoisotopic Molecular Weight | 182.0844 |
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| IUPAC Name | 4-methyl-9H-pyrido[2,3-b]indole |
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| Traditional Name | 4-methyl-9H-pyrido[2,3-b]indole |
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| CAS Registry Number | 13174-97-5 |
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| SMILES | CC1=C2C(NC3=CC=CC=C23)=NC=C1 |
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| InChI Identifier | InChI=1S/C12H10N2/c1-8-6-7-13-12-11(8)9-4-2-3-5-10(9)14-12/h2-7H,1H3,(H,13,14) |
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| InChI Key | MIOULEPPXLEANT-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as alpha carbolines. These are organic compounds containing a pyrido[2,3-b]indole core (which is a pyridine fused to an indole). |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Indoles and derivatives |
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| Sub Class | Pyridoindoles |
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| Direct Parent | Alpha carbolines |
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| Alternative Parents | |
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| Substituents | - Alpha-carboline
- Pyrrolopyridine
- Indole
- Methylpyridine
- Benzenoid
- Pyridine
- Heteroaromatic compound
- Pyrrole
- Azacycle
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organonitrogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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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