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: 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)
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)
BRITE hierarchy
Other DBs
CAS: 303-49-1
PubChem: 9135
ChEBI: 47780
ChEMBL: CHEMBL415
PDB-CCD: CXX[PDBj]
NIKKAJI: J8.630D
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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