KEGG   COMPOUND: C06971Help
Entry
C06971                      Compound                               

Name
Doxepin
Formula
C19H21NO
Exact mass
279.1623
Mol weight
279.3761
Structure
Mol fileKCF fileDB search
Remark
Same as: D07875
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
   D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
    D04AX Other antipruritics
     D04AX01 Doxepin
      D07875  Doxepin (INN)
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AA Non-selective monoamine reuptake inhibitors
     N06AA12 Doxepin
      D07875  Doxepin (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D07875  Doxepin (INN)
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D07875  Doxepin (INN)
    SLC6A4 (HTT)
     D07875  Doxepin (INN)
BRITE hierarchy
Other DBs
CAS: 1668-19-5
PubChem: 9185
ChEBI: 4710
ChEMBL: CHEMBL860
PDB-CCD: 5EH[PDBj]
NIKKAJI: J9.508G
KCF data Show

ATOM        21
            1   C1x C    20.7200  -20.0200
            2   C8y C    19.8800  -18.9000
            3   C8y C    20.2300  -17.5700
            4   C2y C    21.4900  -17.0100
            5   O2x O    22.1200  -20.0200
            6   C8y C    22.7500  -17.6400
            7   C8y C    23.0300  -18.9700
            8   C8x C    19.2500  -16.5900
            9   C8x C    17.8500  -17.0100
            10  C8x C    17.5700  -18.3400
            11  C8x C    18.5500  -19.3200
            12  C8x C    24.3600  -19.3900
            13  C8x C    25.4100  -18.4800
            14  C8x C    25.1300  -17.1500
            15  C8x C    23.8000  -16.6600
            16  C2b C    21.4900  -15.5400
            17  C1b C    20.2300  -14.8400
            18  C1b C    19.0400  -15.5400
            19  N1c N    17.8500  -14.8400
            20  C1a C    16.6600  -15.5400
            21  C1a C    17.8500  -13.4400
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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