| Entry |
|
|---|
| Name |
Lurosetron mesylate (USAN) |
|---|
| Formula |
C17H17FN4O. CH4SO3
|
|---|
| Exact mass |
408.1268
|
|---|
| Mol weight |
408.45
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Gastrointestinal agent
DG01762 Antiemetic
|
|---|
| Efficacy |
Anti-emetic, Serotonin 5-HT3 receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Gastrointestinal agent
DG01762 Antiemetic
D04821 Lurosetron mesylate
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Serotonin
HTR3
D04821 Lurosetron mesylate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
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
|
|---|
