KEGG   DRUG: AfoxolanerHelp
Entry
D10361                      Drug                                   

Name
Afoxolaner (USAN)
Formula
C26H17ClF9N3O3
Exact mass
625.0815
Mol weight
625.8701
Structure
Mol fileKCF fileDB search
Efficacy
Insecticide (veterinary)
Other DBs
CAS: 1093861-60-9
PubChem: 172232454
ChEMBL: CHEMBL2219412
LinkDB All DBs
KCF data Show

ATOM        42
            1   C1b C    26.3875  -16.7017
            2   C1d C    27.5802  -17.4033
            3   N1b N    25.1948  -17.4033
            4   C5a C    24.0021  -16.7017
            5   C1b C    22.8093  -17.4033
            6   N1b N    21.6166  -16.7017
            7   C5a C    20.4239  -17.4033
            8   C8y C    19.2312  -16.7017
            9   O5a O    20.4239  -18.8065
            10  O5a O    24.0021  -15.2985
            11  X   F    28.7729  -18.1049
            12  C8y C    19.2312  -15.2985
            13  C8y C    17.9684  -14.5969
            14  C8y C    16.7757  -15.2985
            15  C8x C    16.7757  -16.7017
            16  C8x C    17.9684  -17.4033
            17  C8x C    20.4239  -14.5969
            18  C8x C    20.4239  -13.1937
            19  C8x C    19.2312  -12.4921
            20  C8x C    17.9684  -13.1937
            21  C2y C    15.5830  -14.5969
            22  O2x O    13.7588  -13.2639
            23  C1z C    13.3379  -14.5969
            24  C1x C    14.4604  -15.4388
            25  N2x N    15.1620  -13.2639
            26  C8y C     9.6896  -15.2985
            27  C8x C     9.6896  -16.7017
            28  C8y C    10.8823  -17.4033
            29  C8x C    12.1452  -16.7017
            30  C8y C    12.1452  -15.2985
            31  C8x C    10.8823  -14.5969
            32  C1d C    10.8823  -18.8065
            33  X   Cl    8.4969  -14.5969
            34  X   F    10.8823  -20.2096
            35  C1d C    12.3457  -13.6048
            36  X   F    10.9528  -13.6419
            37  X   F    12.3457  -12.2016
            38  X   F    11.3535  -12.6125
            39  X   F    12.2855  -18.8065
            40  X   F     9.4791  -18.8065
            41  X   F    28.2818  -16.1881
            42  X   F    26.8786  -18.6184
BOND        45
            1     1   2 1
            2     1   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     7   9 2
            9     4  10 2
            10    2  11 1
            11    8  12 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16    8  16 1
            17   12  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   13  20 1
            22   14  21 1
            23   22  23 1
            24   23  24 1
            25   24  21 1
            26   22  25 1
            27   25  21 2
            28   26  27 2
            29   27  28 1
            30   28  29 2
            31   29  30 1
            32   30  31 2
            33   26  31 1
            34   23  30 1
            35   28  32 1
            36   26  33 1
            37   32  34 1
            38   23  35 1
            39   35  36 1
            40   35  37 1
            41   35  38 1
            42   32  39 1
            43   32  40 1
            44    2  41 1
            45    2  42 1

» Japanese version   » Back

DBGET integrated database retrieval system