KEGG   DRUG: Bensalan
Entry
D03081                      Drug                                   
Name
Bensalan (USAN/INN)
Formula
C14H10Br3NO2
Exact mass
460.8262
Mol weight
463.95
Structure
Simcomp
Efficacy
Disinfectant
Other DBs
CAS: 15686-76-7
PubChem: 17397236
LigandBox: D03081
NIKKAJI: J8.995H
LinkDB
KCF data

ATOM        20
            1   C8x C    12.8800  -25.9000
            2   C8y C    12.8800  -27.3000
            3   C8y C    14.0924  -28.0000
            4   C8y C    15.3049  -27.3000
            5   C8x C    15.3049  -25.9000
            6   C8y C    14.0924  -25.2000
            7   X   Br   14.0924  -23.8002
            8   X   Br   11.6676  -28.0000
            9   O1a O    14.0924  -29.3998
            10  C5a C    16.5360  -28.0110
            11  N1b N    17.7412  -27.3153
            12  O5a O    16.5357  -29.3999
            13  C1b C    18.9235  -27.9981
            14  C8y C    20.1175  -27.3088
            15  C8x C    21.3054  -27.9948
            16  C8x C    22.5179  -27.2949
            17  C8y C    22.5180  -25.8949
            18  C8x C    21.3301  -25.2089
            19  C8x C    20.1176  -25.9088
            20  X   Br   23.7446  -25.1866
BOND        21
            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     6   7 1
            8     2   8 1
            9     3   9 1
            10    4  10 1
            11   10  11 1
            12   10  12 2
            13   11  13 1
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1
            21   17  20 1

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