KEGG   COMPOUND: C06860Help
Entry
C06860                      Compound                               

Name
Bupropion
Formula
C13H18ClNO
Exact mass
239.1077
Mol weight
239.7411
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AX Other antidepressants
     N06AX12 Bupropion
      D07591  Bupropion (INN)
USP drug classification [BR:br08302]
 Anti-Addiction/Substance Abuse Treatment Agents
  Smoking Cessation Agents
   Bupropion
    D07591  Bupropion (INN)
 Antidepressants
  Antidepressants, Other
   Bupropion
    D07591  Bupropion (INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP2D6
   Bupropion
    D07591  Bupropion (INN)
 CYP substrates
  CYP2B6
   Bupropion
    D07591  Bupropion (INN)
BRITE hierarchy
Other DBs
CAS: 
34841-39-9
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        16
            1   C8y C    17.4300  -16.1700
            2   C5a C    18.6200  -15.4700
            3   C8x C    16.1700  -15.4700
            4   C8x C    17.4300  -17.5700
            5   C1c C    19.8100  -16.1700
            6   O5a O    18.6200  -14.0700
            7   C8y C    14.9800  -16.1700
            8   C8x C    16.1700  -18.2700
            9   N1b N    21.0000  -15.4700
            10  C1a C    19.8100  -17.5700
            11  C8x C    14.9800  -17.5700
            12  X   Cl   13.7900  -15.4700
            13  C1d C    22.2600  -16.1700
            14  C1a C    23.4500  -15.4700
            15  C1a C    22.2600  -17.5700
            16  C1a C    23.4500  -16.9400
BOND        16
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1
            10    7  11 2
            11    7  12 1
            12    9  13 1
            13   13  14 1
            14   13  15 1
            15   13  16 1
            16    8  11 1

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