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CHEBI:3219 - bupropion
| Formula | C13H18ClNO |
| Net Charge | 0 |
| Average Mass | 239.746 |
| Monoisotopic Mass | 239.10769 |
| SMILES | CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1 |
| InChI | InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3 |
| InChIKey | SNPPWIUOZRMYNY-UHFFFAOYSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Roles: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| Application: | antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. |
| ChEBI Ontology |
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| Outgoing Relation(s) |
| bupropion (CHEBI:3219) has role antidepressant (CHEBI:35469) |
| bupropion (CHEBI:3219) has role environmental contaminant (CHEBI:78298) |
| bupropion (CHEBI:3219) has role xenobiotic (CHEBI:35703) |
| bupropion (CHEBI:3219) is a aromatic ketone (CHEBI:76224) |
| bupropion (CHEBI:3219) is a monochlorobenzenes (CHEBI:83403) |
| bupropion (CHEBI:3219) is a secondary amino compound (CHEBI:50995) |
| Incoming Relation(s) |
| (R)-bupropion (CHEBI:36794) is a bupropion (CHEBI:3219) |
| (S)-bupropion (CHEBI:36793) is a bupropion (CHEBI:3219) |
| IUPAC Name |
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| 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one |
| Synonym | Source |
|---|---|
| Bupropion | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2101062 | Reaxys |
| CAS:34841-39-9 | KEGG COMPOUND |
| CAS:34911-55-2 | ChemIDplus |
| Citations |
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