KEGG   COMPOUND: C06824
Entry
C06824                      Compound                               
Name
Amitriptyline
Formula
C20H23N
Exact mass
277.1831
Mol weight
277.4033
Structure
Remark
Same as: D07448
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AA Non-selective monoamine reuptake inhibitors
     N06AA09 Amitriptyline
      D07448  Amitriptyline (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01730  Non-selective monoamine reuptake inhibitor
   DG00934  Amitriptyline
    D07448  Amitriptyline
  DG01728  Tricyclic antidepressant
   DG00934  Amitriptyline
    D07448  Amitriptyline
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00934  Amitriptyline
    D07448  Amitriptyline
  DG01639  CYP2C19 substrate
   DG00934  Amitriptyline
    D07448  Amitriptyline
  DG01644  CYP2D6 substrate
   DG00934  Amitriptyline
    D07448  Amitriptyline
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00934  Amitriptyline
     D07448  Amitriptyline
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D07448  Amitriptyline (INN)
    SLC6A4 (HTT)
     D07448  Amitriptyline (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07448
Other DBs
CAS: 50-48-6
PubChem: 9042
ChEBI: 2666
PDB-CCD: TP0[PDBj]
NIKKAJI: J4.103C
KCF data

ATOM        21
            1   C1x C    22.3052  -18.3173
            2   C8y C    21.4608  -17.2047
            3   C8y C    21.7969  -15.8442
            4   C2y C    23.0614  -15.2645
            5   C1x C    23.7148  -18.3426
            6   C8y C    24.3183  -15.8885
            7   C8y C    24.6056  -17.2610
            8   C8x C    20.7870  -14.8731
            9   C8x C    19.4414  -15.2623
            10  C8x C    19.1053  -16.6228
            11  C8x C    20.1151  -17.5936
            12  C8x C    25.9404  -17.6993
            13  C8x C    26.9875  -16.7623
            14  C8x C    26.7004  -15.3898
            15  C8x C    25.3653  -14.9515
            16  C2b C    23.0131  -13.8858
            17  C1b C    24.2404  -13.2028
            18  C1b C    25.4120  -13.9042
            19  N1c N    26.6375  -13.2223
            20  C1a C    27.8756  -13.9629
            21  C1a C    26.6596  -11.8503
BOND        23
            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    4  16 2
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 1

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