KEGG   DRUG: Dembrexine
Entry
D07786                      Drug                                   
Name
Dembrexine (INN);
Sputolosin (TN)
Formula
C13H17Br2NO2
Exact mass
376.9626
Mol weight
379.09
Structure
Simcomp
Efficacy
Mucolytic
Comment
Bromhexine derivative
Other DBs
CAS: 83200-09-3
PubChem: 96024483
LigandBox: D07786
LinkDB
KCF data

ATOM        18
            1   C1y C    17.8735  -18.6219
            2   C1x C    19.0675  -19.3112
            3   C1x C    20.2799  -18.6112
            4   C1y C    20.2799  -17.2112
            5   C1x C    19.0860  -16.5219
            6   C1x C    17.8735  -17.2219
            7   O1a O    21.5034  -16.5046
            8   C8y C    11.8300  -19.3200
            9   C8x C    11.8300  -20.7200
            10  C8y C    13.0424  -21.4200
            11  C8x C    14.2549  -20.7200
            12  C8y C    14.2549  -19.3200
            13  C8y C    13.0424  -18.6200
            14  O1a O    13.0424  -17.2202
            15  X   Br   10.6176  -18.6200
            16  X   Br   13.0424  -22.8198
            17  C1b C    15.4860  -18.6090
            18  N1b N    16.6912  -19.3047
BOND        19
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1 #Up
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13    8  13 1
            14   13  14 1
            15    8  15 1
            16   10  16 1
            17   12  17 1
            18   17  18 1
            19    1  18 1 #Down

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