KEGG   DRUG: ToltrazurilHelp
Entry
D06187                      Drug                                   

Name
Toltrazuril (USAN/INN)
Formula
C18H14F3N3O4S
Exact mass
425.0657
Mol weight
425.3817
Structure
Mol fileKCF fileDB search
Efficacy
Coccidiostat (veterinary)
Other DBs
CAS: 69004-03-1
PubChem: 47207845
ChEMBL: CHEMBL2104931
LigandBox: D06187
NIKKAJI: J22.790K
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8x C     7.8400  -17.5700
            2   C8y C     7.8400  -18.9700
            3   C8x C     9.0524  -19.6700
            4   C8x C    10.2649  -18.9700
            5   C8y C    10.2649  -17.5700
            6   C8x C     9.0524  -16.8700
            7   C8x C    12.6897  -18.9700
            8   C8y C    12.6897  -17.5700
            9   O2a O    11.4773  -16.8700
            10  C8x C    13.9022  -19.6700
            11  C8y C    15.1146  -18.9700
            12  C8x C    15.1146  -17.5700
            13  C8y C    13.9022  -16.8700
            14  S2a S     6.6276  -19.6700
            15  N4y N    16.3311  -19.6723
            16  C1d C     5.4321  -18.9796
            17  X   F     4.2196  -18.2796
            18  X   F     6.1429  -17.7479
            19  X   F     4.7435  -20.1727
            20  C1a C    13.9022  -15.4703
            21  C8y C    16.3310  -21.0698
            22  N4x N    17.5434  -21.7699
            23  C8y C    18.7559  -21.0699
            24  N4y N    18.7560  -19.6724
            25  C8y C    17.5435  -18.9724
            26  O5x O    17.5435  -17.5702
            27  O5x O    15.1028  -21.7790
            28  O5x O    19.9714  -21.7718
            29  C1a C    19.9725  -18.9701
BOND        31
            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     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    2  14 1
            16   11  15 1
            17   14  16 1
            18   16  17 1
            19   16  18 1
            20   16  19 1
            21   13  20 1
            22   15  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   15  25 1
            28   25  26 2
            29   21  27 2
            30   23  28 2
            31   24  29 1

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