KEGG   DRUG: Lurosetron mesylateHelp
Entry
D04821                      Drug                                   

Name
Lurosetron mesylate (USAN)
Formula
C17H17FN4O. CH4SO3
Exact mass
408.1268
Mol weight
408.4471
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01762  Antiemetic
Efficacy
Anti-emetic
Interaction
Drug interaction
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

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