KEGG   DRUG: Metabromsalan
Entry
D04950                      Drug                                   
Name
Metabromsalan (USAN)
Formula
C13H9Br2NO2
Exact mass
368.9
Mol weight
371.0241
Structure
Simcomp
Efficacy
Disinfectant
Other DBs
CAS: 2577-72-2
PubChem: 47206696
LigandBox: D04950
NIKKAJI: J7.617A
KCF data

ATOM        18
            1   C8y C    23.2636  -19.6881
            2   C8x C    23.2636  -18.3562
            3   C8y C    22.0719  -20.3891
            4   C5a C    24.4553  -20.3891
            5   C8y C    22.0019  -17.6552
            6   C8y C    20.8101  -19.7581
            7   N1b N    25.6471  -19.6881
            8   O5a O    24.4553  -21.7910
            9   C8x C    20.8101  -18.3562
            10  X   Br   22.0019  -16.2532
            11  C8y C    26.9088  -20.3891
            12  O1a O    22.0514  -21.8184
            13  X   Br   19.5813  -20.5171
            14  C8x C    26.8611  -21.7691
            15  C8x C    28.0847  -22.4494
            16  C8x C    29.2857  -21.7298
            17  C8x C    29.2633  -20.3499
            18  C8x C    28.0397  -19.6696
BOND        19
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     5   9 2
            9     5  10 1
            10    7  11 1
            11    6   9 1
            12    3  12 1
            13    6  13 1
            14   11  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   11  18 1

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  All links  
Drug (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
All databases (3)   

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