KEGG   DRUG: Fospirate
Entry
D04256                      Drug                                   
Name
Fospirate (USAN/INN)
Formula
C7H7Cl3NO4P
Exact mass
304.9178
Mol weight
306.4675
Structure
Simcomp
Efficacy
Anthelmintic (veterinary)
Comment
Organophosphorous compound
Other DBs
CAS: 5598-52-7
PubChem: 47206197
LigandBox: D04256
NIKKAJI: J8.024A
LinkDB
KCF data

ATOM        16
            1   C8y C    16.1700  -15.8900
            2   C8y C    16.1700  -17.2900
            3   N5x N    17.3824  -17.9900
            4   C8y C    18.5949  -17.2900
            5   C8y C    18.5949  -15.8900
            6   C8x C    17.3824  -15.1900
            7   X   Cl   14.9576  -17.9900
            8   X   Cl   14.9576  -15.1900
            9   X   Cl   19.8260  -15.1790
            10  O2b O    19.8260  -18.0010
            11  P1b P    19.8257  -19.3899
            12  O2b O    19.8257  -20.7899
            13  O3b O    18.4100  -19.3898
            14  O2b O    21.2100  -19.3900
            15  C1a C    21.9101  -18.1776
            16  C1a C    21.0264  -21.4831
BOND        16
            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     2   7 1
            8     1   8 1
            9     5   9 1
            10    4  10 1
            11   10  11 1
            12   11  12 1
            13   11  13 2
            14   11  14 1
            15   14  15 1
            16   12  16 1

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