KEGG   DRUG: D00243Help
Entry
D00243                      Drug                                   

Name
Benzquinamide (USAN)
Formula
C22H32N2O5
Exact mass
404.2311
Mol weight
404.4999
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-emetic
Other DBs
CAS: 
63-12-7
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8y C     6.5100  -20.9300
            2   C8y C     6.5100  -22.3300
            3   C8x C     7.7224  -23.0300
            4   C8y C     8.9349  -22.3300
            5   C8y C     8.9349  -20.9300
            6   C8x C     7.7224  -20.2300
            7   C1x C    10.1473  -23.0300
            8   C1x C    11.3597  -22.3300
            9   N1y N    11.3597  -20.9300
            10  C1y C    10.1473  -20.2300
            11  C1x C    12.5722  -20.2300
            12  C1y C    12.5722  -18.8300
            13  C1y C    11.3597  -18.1300
            14  C1x C    10.1473  -18.8300
            15  C1b C    14.9970  -20.2300
            16  N1c N    14.9970  -18.8300
            17  C5a C    13.7846  -18.1300
            18  C1a C    16.2095  -20.9300
            19  C1a C    17.4219  -18.8300
            20  C1b C    16.2095  -18.1300
            21  O5a O    13.7846  -16.7300
            22  O7a O    11.3597  -16.7300
            23  O2a O     5.2976  -20.2300
            24  C1a C     4.0851  -20.9300
            25  C1a C     4.0851  -22.3300
            26  O2a O     5.2976  -23.0300
            27  C7a C    10.1326  -16.0214
            28  C1a C     8.9296  -16.7159
            29  O6a O    10.1328  -14.6301
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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   15  18 1
            21   19  20 1
            22   16  20 1
            23   17  21 2
            24   22  13 1
            25    1  23 1
            26   23  24 1
            27   25  26 1
            28    2  26 1
            29   22  27 1
            30   27  28 1
            31   27  29 2

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