KEGG   DRUG: Piperazine citrate
Entry
D02127                      Drug                                   
Name
Piperazine citrate (USP);
Piperazine citrate hydrate;
Bryrel (TN)
Formula
(C6H8O7)2. (C4H10N2)3. xH2O
Structure
Simcomp
Remark
ATC code: P02CB01
Chemical structure group: DG01023
Efficacy
Anthelmintic
Comment
Piperazine derivative
Target
GABA-gated chloride channel [KO:K05181 K05195 K05175]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P02 ANTHELMINTICS
   P02C ANTINEMATODAL AGENTS
    P02CB Piperazine and derivatives
     P02CB01 Piperazine
      D02127  Piperazine citrate (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Piperazine
    D02127  Piperazine citrate (USP)
Antimicrobials [BR:br08307]
 Antiparasitics
  Antinematodal agents
   Piperazine and derivatives
    D02127  Piperazine citrate (USP)
Other DBs
CAS: 41372-10-5
PubChem: 7849188
LigandBox: D02127
LinkDB
KCF data

ATOM        45
            1   C1x C    13.6600  -18.7740
            2   C1x C    13.6600  -20.1751
            3   N1x N    14.8733  -20.8756
            4   C1x C    16.0867  -20.1751
            5   C1x C    16.0867  -18.7740
            6   N1x N    14.8733  -18.0735
            7   O6a O    21.4368  -19.7548
            8   C6a C    22.6501  -19.0542
            9   C1b C    23.8635  -19.7548
            10  C1d C    25.0768  -19.0542
            11  C1b C    26.2901  -19.7548
            12  O6a O    22.6501  -17.6534
            13  O1a O    24.3762  -17.8409
            14  C6a C    25.7773  -17.8409
            15  O6a O    27.1808  -17.8408
            16  O6a O    25.0871  -16.6457
            17  C6a C    26.2901  -21.1558
            18  O6a O    25.0620  -21.8649
            19  O6a O    27.4885  -21.8478
            20  O0  O    33.9766  -19.6146
            21  C1x C    13.6600  -18.7740
            22  C1x C    13.6600  -20.1751
            23  N1x N    14.8733  -20.8756
            24  C1x C    16.0867  -20.1751
            25  C1x C    16.0867  -18.7740
            26  N1x N    14.8733  -18.0735
            27  C1x C    13.6600  -18.7740
            28  C1x C    13.6600  -20.1751
            29  N1x N    14.8733  -20.8756
            30  C1x C    16.0867  -20.1751
            31  C1x C    16.0867  -18.7740
            32  N1x N    14.8733  -18.0735
            33  O6a O    21.4368  -19.7548
            34  C6a C    22.6501  -19.0542
            35  C1b C    23.8635  -19.7548
            36  C1d C    25.0768  -19.0542
            37  C1b C    26.2901  -19.7548
            38  C6a C    26.2901  -21.1558
            39  O6a O    25.0620  -21.8649
            40  O6a O    27.4885  -21.8478
            41  O1a O    24.3762  -17.8409
            42  C6a C    25.7773  -17.8409
            43  O6a O    27.1808  -17.8408
            44  O6a O    25.0871  -16.6457
            45  O6a O    22.6501  -17.6534
BOND        42
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7    21  22 1
            8    22  23 1
            9    23  24 1
            10   24  25 1
            11   25  26 1
            12   21  26 1
            13   27  28 1
            14   28  29 1
            15   29  30 1
            16   30  31 1
            17   31  32 1
            18   27  32 1
            19    7   8 1
            20    8   9 1
            21    9  10 1
            22   10  11 1
            23    8  12 2
            24   10  13 1
            25   10  14 1
            26   14  15 2
            27   14  16 1
            28   11  17 1
            29   17  18 2
            30   17  19 1
            31   33  34 1
            32   34  35 1
            33   35  36 1
            34   36  37 1
            35   34  45 2
            36   36  41 1
            37   36  42 1
            38   42  43 2
            39   42  44 1
            40   37  38 1
            41   38  39 2
            42   38  40 1
BRACKET     1    11.7600  -22.5400   11.7600  -16.0300
            1    17.7100  -16.0300   17.7100  -22.5400
            1  3
 ORIGINAL  1    1   2   3   4   5   6
 REPEAT    1   21  22  23  24  25  26  27  28  29  30  31  32
            2    19.4600  -23.3800   19.4600  -15.0500
            2    29.6100  -15.0500   29.6100  -23.3800
            2  2
 ORIGINAL  2    7   8   9  10  11  17  18  19  13  14  15  16  12
 REPEAT    2   33  34  35  36  37  38  39  40  41  42  43  44  45
            3    31.5000  -20.7900   31.5000  -18.1300
            3    34.7900  -18.1300   34.7900  -20.7900
            3  x
 ORIGINAL  3   20
 REPEAT    3

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