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The Drug Ontology
Last uploaded:
November 15, 2024
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| Preferred Name | bupropion | |
| Synonyms |
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one Bupropion |
|
| Definitions |
An aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3219 |
|
| alternative label |
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one Bupropion
|
|
| charge |
0
|
|
| database_cross_reference |
KEGG:C06860 MetaCyc:CPD-3481 Drug_Central:435 CAS:34911-55-2 Beilstein:2101062 PMID:12826985 KEGG:D07591 HMDB:HMDB0001510 CAS:34841-39-9 PMID:15876900 Wikipedia:Bupropion LINCS:LSM-1267 DrugBank:DB01156 Reaxys:2101062
|
|
| definition |
An aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring.
|
|
| formula |
C13H18ClNO
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35703 |
|
| has_exact_synonym |
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one Bupropion
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_RxCUI |
42347
|
|
| id |
CHEBI:3219
|
|
| in_subset | ||
| 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
|
|
| is_bearer_of | ||
| label |
bupropion
|
|
| mass |
239.74086
|
|
| monoisotopicmass |
239.10769
|
|
| notation |
CHEBI:3219
|
|
| prefLabel |
bupropion
|
|
| smiles |
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50995 |
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