KEGG   COMPOUND: C06824Help
Entry
C06824                      Compound                               

Name
Amitriptyline
Formula
C20H23N
Exact mass
277.1831
Mol weight
277.4033
Structure
Mol fileKCF fileDB search
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)
USP drug classification [BR:br08302]
 Antidepressants
  Tricyclics
   Amitriptyline
    D07448  Amitriptyline (INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D07448  Amitriptyline (INN)
    SLC6A4 (HTT)
     D07448  Amitriptyline (INN)
BRITE hierarchy
Other DBs
CAS: 50-48-6
PubChem: 9042
ChEBI: 2666
ChEMBL: CHEMBL629
PDB-CCD: TP0[PDBj]
NIKKAJI: J4.103C
LinkDB All DBs
KCF data Show

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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