KEGG   COMPOUND: C11724Help
Entry
C11724                      Compound                               

Name
Cycloguanil pamoate
Formula
C23H16O6. (C11H14ClN5)2
Exact mass
890.2822
Mol weight
891.8003
Structure
Mol fileKCF fileDB search
Remark
Same as: D02387
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P01 ANTIPROTOZOALS
   P01B ANTIMALARIALS
    P01BB Biguanides
     P01BB02 Cycloguanil embonate
      D02387  Cycloguanil pamoate (USAN)
BRITE hierarchy
Other DBs
CAS: 609-78-9
PubChem: 13889
ChEBI: 4003
ChEMBL: CHEMBL3989825
NIKKAJI: J2.776.942J
KCF data Show

ATOM        63
            1   C2y C    18.3064  -19.6028
            2   N1y N    19.5441  -20.2857
            3   N2x N    17.1050  -20.3227
            4   C1z C    19.5055  -21.6930
            5   C2y C    17.0592  -21.7182
            6   N2x N    18.3671  -22.4083
            7   C8y C    20.7603  -19.5907
            8   C8x C    20.7603  -18.1877
            9   C8x C    21.9706  -20.2917
            10  C8x C    21.9765  -17.4856
            11  C8x C    23.1796  -19.5965
            12  C8y C    23.1856  -18.1936
            13  X   Cl   24.4048  -17.4915
            14  N1a N    18.3513  -18.1986
            15  N1a N    15.9242  -22.4447
            16  C1a C    20.2669  -22.9065
            17  C1a C    20.9798  -21.6925
            18  C8x C    29.7779  -21.4974
            19  C8x C    29.7779  -22.8772
            20  C8x C    30.9727  -23.5670
            21  C8x C    32.1677  -22.8772
            22  C8y C    32.1677  -21.4974
            23  C8y C    30.9727  -20.8076
            24  C8y C    33.3625  -20.8076
            25  C8y C    33.3625  -19.4278
            26  C8y C    32.1677  -18.7380
            27  C8x C    30.9727  -19.4278
            28  C1b C    35.2493  -21.6366
            29  C8y C    36.8424  -20.8176
            30  C8y C    38.0120  -21.4929
            31  C8y C    39.2069  -20.8029
            32  C8x C    39.2069  -19.4232
            33  C8y C    38.0372  -18.7480
            34  C8y C    36.8423  -19.4379
            35  C8x C    38.0120  -22.8726
            36  C8x C    39.2070  -23.5624
            37  C8x C    40.4018  -22.8725
            38  C8x C    40.4018  -21.4928
            39  C6a C    32.1677  -17.3584
            40  O6a O    33.3811  -16.6577
            41  O6a O    30.9914  -16.6792
            42  C6a C    38.0370  -17.3583
            43  O6a O    36.8565  -16.6769
            44  O6a O    39.2462  -16.6599
            45  O1a O    34.5594  -18.7368
            46  O1a O    35.6222  -18.7334
            47  C2y C    18.3064  -19.6028
            48  N1y N    19.5441  -20.2857
            49  C1z C    19.5055  -21.6930
            50  N2x N    18.3671  -22.4083
            51  C2y C    17.0592  -21.7182
            52  N2x N    17.1050  -20.3227
            53  N1a N    15.9242  -22.4447
            54  C1a C    20.2669  -22.9065
            55  C1a C    20.9798  -21.6925
            56  C8y C    20.7603  -19.5907
            57  C8x C    20.7603  -18.1877
            58  C8x C    21.9765  -17.4856
            59  C8y C    23.1856  -18.1936
            60  C8x C    23.1796  -19.5965
            61  C8x C    21.9706  -20.2917
            62  X   Cl   24.4048  -17.4915
            63  N1a N    18.3513  -18.1986
BOND        68
            1    18  19 2
            2    19  20 1
            3    20  21 2
            4    21  22 1
            5    22  23 2
            6    18  23 1
            7    22  24 1
            8    24  25 2
            9    25  26 1
            10   26  27 2
            11   23  27 1
            12   24  28 1
            13   28  29 1
            14   29  30 1
            15   30  31 2
            16   31  32 1
            17   32  33 2
            18   33  34 1
            19   29  34 2
            20   30  35 1
            21   35  36 2
            22   36  37 1
            23   37  38 2
            24   31  38 1
            25   26  39 1
            26   39  40 2
            27   39  41 1
            28   33  42 1
            29   42  43 2
            30   42  44 1
            31   25  45 1
            32   34  46 1
            33    1   2 1
            34    1   3 2
            35    2   4 1
            36    3   5 1
            37    4   6 1
            38    5   6 2
            39    7   2 1
            40    7   8 1
            41    7   9 2
            42    8  10 2
            43    9  11 1
            44   10  12 1
            45   11  12 2
            46   12  13 1
            47    1  14 1
            48    5  15 1
            49    4  16 1
            50    4  17 1
            51   47  48 1
            52   47  52 2
            53   48  49 1
            54   52  51 1
            55   49  50 1
            56   51  50 2
            57   56  48 1
            58   56  57 1
            59   56  61 2
            60   57  58 2
            61   61  60 1
            62   58  59 1
            63   60  59 2
            64   59  62 1
            65   47  63 1
            66   51  53 1
            67   49  54 1
            68   49  55 1
BRACKET     1    14.3500  -23.5900   14.3500  -16.5900
            1    26.0400  -16.5900   26.0400  -23.5900
            1  2
 ORIGINAL  1    1   2   4   6   5   3  15  16  17   7   8  10  12  11   9  13
            1   14
 REPEAT    1   47  48  49  50  51  52  53  54  55  56  57  58  59  60  61  62
            1   63

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