KEGG   DRUG: RafoxanideHelp
Entry
D05693                      Drug                                   

Name
Rafoxanide (USAN/INN)
Formula
C19H11Cl2I2NO3
Exact mass
624.8205
Mol weight
626.0105
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Anthelmintic
Comment
Salicylanilide derivative
Other DBs
CAS: 22662-39-1
PubChem: 47207354
ChEMBL: CHEMBL287542
LigandBox: D05693
NIKKAJI: J11.487A
LinkDB All DBs
KCF data Show

ATOM        27
            1   C8y C    15.9600  -26.7400
            2   C8y C    15.9600  -28.1400
            3   C8x C    17.1724  -28.8400
            4   C8x C    18.3849  -28.1400
            5   C8y C    18.3849  -26.7400
            6   C8x C    17.1724  -26.0400
            7   N1b N    19.6160  -26.0290
            8   C5a C    20.8212  -26.7247
            9   C8y C    22.0035  -26.0419
            10  O5a O    20.8216  -28.1396
            11  C8x C    23.1975  -26.7312
            12  C8y C    24.4099  -26.0312
            13  C8x C    24.4099  -24.6312
            14  C8y C    23.2160  -23.9419
            15  C8y C    22.0035  -24.6419
            16  O1a O    20.7727  -23.9311
            17  X   I    23.2159  -22.5402
            18  X   I    25.6412  -26.7422
            19  O2a O    14.7476  -28.8400
            20  C8y C    13.5521  -28.1496
            21  C8x C    13.5520  -26.7403
            22  C8x C    12.3396  -26.0403
            23  C8y C    11.1272  -26.7403
            24  C8x C    11.1272  -28.1497
            25  C8x C    12.3396  -28.8496
            26  X   Cl    9.9167  -26.0415
            27  X   Cl   14.7476  -26.0400
BOND        29
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 2
            12   11  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16    9  15 1
            17   15  16 1
            18   14  17 1
            19   12  18 1
            20    2  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   20  25 1
            28   23  26 1
            29    1  27 1

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