KEGG   COMPOUND: C06918
Entry
C06918                      Compound                               
Name
Clomipramine
Formula
C19H23ClN2
Exact mass
314.155
Mol weight
314.8523
Structure
Remark
Same as: D07727
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)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01730  Non-selective monoamine reuptake inhibitor
   DG00929  Clomipramine
    D07727  Clomipramine
  DG01728  Tricyclic antidepressant
   DG00929  Clomipramine
    D07727  Clomipramine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00929  Clomipramine
    D07727  Clomipramine
  DG01639  CYP2C19 substrate
   DG00929  Clomipramine
    D07727  Clomipramine
  DG01644  CYP2D6 substrate
   DG00929  Clomipramine
    D07727  Clomipramine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00929  Clomipramine
     D07727  Clomipramine
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D07727  Clomipramine (INN)
    SLC6A4 (HTT)
     D07727  Clomipramine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07727
Other DBs
CAS: 303-49-1
PubChem: 9135
ChEBI: 47780
PDB-CCD: CXX[PDBj]
NIKKAJI: J8.630D
LinkDB
KCF data

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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