KEGG   DRUG: D04821Help
Entry
D04821                      Drug                                   

Name
Lurosetron mesylate (USAN)
Formula
C17H17FN4O. CH4SO3
Exact mass
408.1268
Mol weight
408.4471
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-emetic
Other DBs
CAS: 
143486-90-2
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        28
            1   O1d O    39.2773  -16.3145
            2   S4a S    39.2773  -17.7149
            3   C1a C    37.8769  -17.7149
            4   O1d O    40.6777  -17.7149
            5   O1d O    39.2773  -19.0453
            6   C8y C    30.5247  -17.7149
            7   C8y C    31.8551  -18.2051
            8   C8y C    30.5247  -16.3145
            9   C5x C    29.3343  -18.4152
            10  C8y C    32.6953  -17.0147
            11  N4y N    31.8551  -15.8944
            12  C1x C    29.3343  -15.6143
            13  N1y N    28.0739  -17.7149
            14  O5x O    29.3343  -19.8156
            15  C1a C    32.2752  -14.5640
            16  C1x C    28.0739  -16.3145
            17  C1b C    26.8836  -18.4152
            18  C8y C    25.6932  -17.7149
            19  C8y C    34.0953  -17.0147
            20  C8x C    34.7919  -18.2213
            21  X   F    34.7960  -15.8011
            22  C8x C    34.1006  -19.4185
            23  C8x C    32.7006  -19.4185
            24  C8y C    25.2864  -16.3753
            25  N4x N    23.8866  -16.3485
            26  C8x C    23.4285  -17.6714
            27  N5x N    24.5452  -18.5159
            28  C1a C    26.1226  -15.2695
BOND        30
            1     1   2 2
            2     2   3 1
            3     2   4 1
            4     2   5 2
            5     6   7 1
            6     6   8 2
            7     6   9 1
            8     7  10 1
            9     8  11 1
            10    8  12 1
            11    9  13 1
            12    9  14 2
            13   11  15 1
            14   12  16 1
            15   13  17 1
            16   17  18 1
            17   10  11 1
            18   13  16 1
            19   10  19 2
            20   19  20 1
            21   19  21 1
            22   20  22 2
            23   22  23 1
            24   23   7 2
            25   18  24 2
            26   24  25 1
            27   25  26 1
            28   26  27 2
            29   18  27 1
            30   24  28 1

» Japanese version   » Back

DBGET integrated database retrieval system