| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C22H23Cl2N3OS. C6H8O7
|
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| Exact mass |
639.1209
|
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| Mol weight |
640.532
|
|---|
| Structure |
   |
|---|
| Class |
Analgesic
DG01518 5-HT1B/1D-receptor agonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antidepressant, Serotonin receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR1B
D03982 Elzasonan citrate (USAN)
HTR1D
D03982 Elzasonan citrate (USAN)
 |
|---|
| Other DBs |
|
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| KCF data |
ATOM 42
1 C1d C 36.4857 -17.9866
2 C1b C 35.2773 -18.6812
3 C1b C 37.6998 -18.6755
4 C6a C 37.1803 -16.7667
5 O1a O 35.7794 -16.7667
6 C6a C 34.0690 -17.9924
7 C6a C 37.7582 -20.0821
8 O6a O 36.4683 -15.5467
9 O6a O 38.5872 -16.7667
10 O6a O 32.8489 -18.6929
11 O6a O 34.0573 -16.5915
12 O6a O 38.9723 -20.7886
13 O6a O 36.5383 -20.7827
14 C8x C 19.4808 -18.9941
15 C8x C 19.4808 -20.3957
16 C8x C 20.6945 -21.0965
17 C8x C 21.9084 -20.3957
18 C8y C 21.9084 -18.9941
19 C8y C 20.6945 -18.2933
20 N1y N 20.6945 -16.8919
21 C1x C 21.8915 -16.2006
22 C1x C 21.8913 -14.7991
23 N1y N 20.6774 -14.0985
24 C1x C 19.4806 -14.7896
25 C1x C 19.4807 -16.1912
26 S2x S 24.3360 -20.3957
27 C2y C 24.3360 -18.9941
28 C2b C 23.1222 -18.2933
29 C1x C 25.5498 -21.0965
30 C1x C 26.7636 -20.3957
31 N1y N 26.7636 -18.9941
32 C5x C 25.5498 -18.2933
33 C8y C 27.9815 -18.2910
34 C8x C 29.1803 -18.9833
35 C8x C 30.3942 -18.2826
36 C8y C 30.3944 -16.8810
37 C8y C 29.1955 -16.1887
38 C8x C 27.9816 -16.8894
39 C1a C 20.6773 -12.6870
40 O5x O 25.5498 -16.8920
41 X Cl 29.1957 -14.7895
42 X Cl 31.6175 -16.1748
BOND 44
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 2
9 6 10 1
10 6 11 2
11 7 12 1
12 7 13 2
13 14 15 2
14 15 16 1
15 16 17 2
16 17 18 1
17 18 19 2
18 14 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 24 25 1
25 20 25 1
26 26 27 1
27 27 28 2
28 18 28 1
29 26 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 27 32 1
34 31 33 1
35 33 34 2
36 34 35 1
37 35 36 2
38 36 37 1
39 37 38 2
40 33 38 1
41 23 39 1
42 32 40 2
43 37 41 1
44 36 42 1
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