KEGG   COMPOUND: C18596Help
Entry
C18596                      Compound                               

Name
Bromadiolone
Formula
C30H23BrO4
Exact mass
526.078
Mol weight
527.4052
Structure
Mol fileKCF fileDB search
Brite
Pesticides [BR:br08007]
 Pesticides
  Rodenticides
   Coumarin rodenticides
    C18596  Bromadiolone
Animal drugs in Japan [BR:br08331]
 99  Agents for not mainly purpose of therapeutic
  994  Rodentickides
   9943  Cumarin, derivatives and preparations
    C18596  Bromadiolone
BRITE hierarchy
Other DBs
CAS: 28772-56-7
PubChem: 124489270
ChEBI: 81855
ChEMBL: CHEMBL1165553
LinkDB All DBs
KCF data Show

ATOM        35
            1   C8y C    25.0600  -18.7600
            2   C1c C    26.3200  -19.4600
            3   C8y C    23.8700  -19.4600
            4   C8y C    25.0600  -17.3600
            5   C8y C    26.3200  -20.7900
            6   C1b C    27.5100  -18.7600
            7   C8y C    22.6800  -18.7600
            8   O1a O    23.8700  -20.9300
            9   O7x O    23.8700  -16.5900
            10  O6a O    26.2500  -16.6600
            11  C8x C    25.0600  -21.4900
            12  C8x C    27.5100  -21.4900
            13  C1c C    28.7000  -19.3900
            14  C8y C    22.6800  -17.3600
            15  C8x C    21.4200  -19.4600
            16  C8x C    25.0600  -22.8900
            17  C8x C    27.5100  -22.8900
            18  O1a O    28.7000  -20.9300
            19  C8y C    29.8900  -18.7600
            20  C8x C    21.4200  -16.6600
            21  C8x C    20.2300  -18.7600
            22  C8x C    26.3200  -23.5900
            23  C8x C    20.2300  -17.3600
            24  C8x C    31.0759  -19.5040
            25  C8x C    32.3132  -18.8490
            26  C8y C    32.3646  -17.4499
            27  C8x C    31.1787  -16.7059
            28  C8x C    29.8714  -17.3609
            29  C8y C    33.5905  -16.8006
            30  C8x C    34.7831  -17.5485
            31  C8x C    36.0203  -16.8932
            32  C8y C    36.0714  -15.4942
            33  C8x C    34.8789  -14.7463
            34  C8x C    33.5717  -15.4015
            35  X   Br   37.3015  -14.8425
BOND        39
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    7  14 2
            14    7  15 1
            15   11  16 1
            16   12  17 2
            17   13  18 1
            18   13  19 1
            19   14  20 1
            20   15  21 2
            21   16  22 2
            22   20  23 2
            23    9  14 1
            24   17  22 1
            25   21  23 1
            26   19  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   19  28 1
            32   26  29 1
            33   29  30 2
            34   30  31 1
            35   31  32 2
            36   32  33 1
            37   33  34 2
            38   29  34 1
            39   32  35 1

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