KEGG   COMPOUND: C06918Help
Entry
C06918                      Compound                               

Name
Clomipramine
Formula
C19H23ClN2
Exact mass
314.155
Mol weight
314.8523
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AA Non-selective monoamine reuptake inhibitors
     N06AA04 Clomipramine
      D07727  Clomipramine (INN)
USP drug classification [BR:br08302]
 Antidepressants
  Tricyclics
   Clomipramine
    D07727  Clomipramine (INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (noradrenalin transporter)
     Clomipramine
      D07727  Clomipramine (INN)
    SLC6A4 (serotonin transporter)
     Clomipramine
      D07727  Clomipramine (INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP2D6
   Clomipramine
    D07727  Clomipramine (INN)
 CYP substrates
  CYP1A2
   Clomipramine
    D07727  Clomipramine (INN)
  CYP2C19
   Clomipramine
    D07727  Clomipramine (INN)
  CYP2D6
   Clomipramine
    D07727  Clomipramine (INN)
  CYP3A4
   Clomipramine
    D07727  Clomipramine (INN)
BRITE hierarchy
Other DBs
CAS: 
303-49-1
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C1x C    22.5908  -17.6931
            2   C8y C    21.7461  -16.5801
            3   C8y C    22.0823  -15.2192
            4   N1y N    23.3472  -14.6393
            5   C1x C    24.0009  -17.7184
            6   C8y C    24.6046  -15.2635
            7   C8y C    24.8920  -16.6364
            8   C8x C    21.0721  -14.2478
            9   C8y C    19.7260  -14.6371
            10  C8x C    19.3898  -15.9980
            11  C8x C    20.4000  -16.9691
            12  C8x C    26.2272  -17.0748
            13  C8x C    27.2746  -16.1376
            14  C8x C    26.9874  -14.7647
            15  C8x C    25.6519  -14.3262
            16  X   Cl   18.7236  -13.6735
            17  C1b C    23.3689  -13.2602
            18  C1b C    24.5967  -12.5770
            19  C1b C    25.7686  -13.2786
            20  N1c N    26.9945  -12.5965
            21  C1a C    28.2330  -13.3373
            22  C1a C    27.0166  -11.2240
BOND        24
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    6  15 2
            18    9  16 1
            19    4  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   20  22 1

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