loading...| 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 |
|
| charge |
0 |
|
| database_cross_reference |
Beilstein:2101062 CAS:34911-55-2 MetaCyc:CPD-3481 PMID:12826985 KEGG:D07591 Wikipedia:Bupropion Drug_Central:435 HMDB:HMDB0001510 PMID:15876900 Reaxys:2101062 DrugBank:DB01156 KEGG:C06860 CAS:34841-39-9 LINCS:LSM-1267 |
|
| 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 exact synonym |
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one Bupropion |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35703 |
|
| has_obo_namespace |
chebi_ontology |
|
| 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 |
|
| 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 |