KEGG   DRUG: D07700Help
Entry
D07700                      Drug                                   

Name
Cinitapride (INN);
Paxapride (TN)
Formula
C21H30N4O4
Exact mass
402.2267
Mol weight
402.4873
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antiemetic
Other DBs
CAS: 
66564-14-5
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8y C    13.7200  -16.1000
            2   C8y C    13.7200  -17.5000
            3   C8x C    14.9324  -18.2000
            4   C8y C    16.1449  -17.5000
            5   C8y C    16.1449  -16.1000
            6   C8x C    14.9324  -15.4000
            7   N2b N    12.5076  -15.4000 #+
            8   N1a N    12.5076  -18.2000
            9   O2a O    17.3760  -18.2110
            10  C1b C    18.5812  -17.5153
            11  C1a C    19.7635  -18.1981
            12  C5a C    17.3760  -15.3890
            13  N1b N    18.5812  -16.0847
            14  C1y C    19.7635  -15.4019
            15  C1x C    20.9575  -16.0912
            16  C1x C    22.1699  -15.3912
            17  N1y N    22.1699  -13.9912
            18  C1x C    20.9760  -13.3019
            19  C1x C    19.7635  -14.0019
            20  C1b C    23.3934  -13.2846
            21  C1y C    24.6024  -13.9825
            22  C1x C    24.6029  -15.3996
            23  C1x C    25.8155  -16.0992
            24  C2x C    27.0277  -15.3988
            25  C2x C    27.0272  -13.9817
            26  C1x C    25.8146  -13.2821
            27  O3a O    11.0321  -16.1604 #-
            28  O3a O    12.5075  -14.0002
            29  O5a O    17.3757  -14.0001
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     1   7 1
            8     2   8 1
            9     4   9 1
            10    9  10 1
            11   10  11 1
            12    5  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   14  19 1
            21   17  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   21  26 1
            29    7  27 1
            30    7  28 2
            31   12  29 2

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