KEGG   DRUG: Dichloralphenazone
Entry
D03785                      Drug                                   
Name
Dichloralphenazone (USP)
Formula
(C2H3Cl3O2)2. C11H12N2O
Exact mass
515.9347
Mol weight
519.02
Structure
Remark
ATC code: N05CC04
Efficacy
Sedative-hypnotic
Comment
Aldehyde derivative, Chloral derivative
Component of Isocom (TN)
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N05 PSYCHOLEPTICS
   N05C HYPNOTICS AND SEDATIVES
    N05CC Aldehydes and derivatives
     N05CC04 Dichloralphenazone
      D03785  Dichloralphenazone (USP)
Other DBs
CAS: 480-30-8
PubChem: 17397873
LigandBox: D03785
NIKKAJI: J448.977B
LinkDB
KCF data

ATOM        28
            1   C1c C    31.6921  -15.2510
            2   C1d C    33.0914  -15.2510
            3   O1a O    30.9924  -14.0391
            4   O1a O    30.9924  -16.4628
            5   X   Cl   33.7911  -16.4628
            6   X   Cl   33.7911  -14.0391
            7   X   Cl   34.4907  -15.2510
            8   C8x C    21.4900  -16.1000
            9   C8x C    21.4900  -17.5000
            10  C8x C    22.7024  -18.2000
            11  C8x C    23.9149  -17.5000
            12  C8y C    23.9149  -16.1000
            13  C8x C    22.7024  -15.4000
            14  N4y N    25.1460  -15.3890
            15  N4y N    25.1460  -13.9890
            16  C1a C    23.9265  -13.2848
            17  C8y C    26.4775  -15.8216
            18  C8x C    27.3004  -14.6890
            19  C8y C    26.4775  -13.5564
            20  C1a C    26.9013  -12.2514
            21  O5x O    26.9079  -17.1464
            22  C1c C    31.6921  -15.2510
            23  C1d C    33.0914  -15.2510
            24  X   Cl   33.7911  -16.4628
            25  X   Cl   33.7911  -14.0391
            26  X   Cl   34.4907  -15.2510
            27  O1a O    30.9924  -14.0391
            28  O1a O    30.9924  -16.4628
BOND        27
            1     8   9 2
            2     9  10 1
            3    10  11 2
            4    11  12 1
            5    12  13 2
            6     8  13 1
            7    12  14 1
            8    14  15 1
            9    15  16 1
            10   14  17 1
            11   17  18 1
            12   18  19 2
            13   15  19 1
            14   19  20 1
            15   17  21 2
            16    1   2 1
            17    1   3 1
            18    1   4 1
            19    2   5 1
            20    2   6 1
            21    2   7 1
            22   22  23 1
            23   22  27 1
            24   22  28 1
            25   23  24 1
            26   23  25 1
            27   23  26 1
BRACKET     1    29.3300  -17.3600   29.3300  -12.7400
            1    35.4200  -12.7400   35.4200  -17.3600
            1  2
 ORIGINAL  1    1   2   5   6   7   3   4
 REPEAT    1   22  23  24  25  26  27  28

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