| Entry |
|
|---|
| Name |
Thiethylperazine malate (JAN);
Torecan (TN) |
|---|
| Formula |
C22H29N3S2. (C4H6O5)2
|
|---|
| Exact mass |
667.2233
|
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| Mol weight |
667.79
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Neuropsychiatric agent
DG03200 Antipsychotic agent
DG01905 Phenothiazine antipsychotics
|
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| Remark |
|
|---|
| Efficacy |
Anti-emetic, Antipsychotic, Antivertigo, Dopamine D2 receptor antagonist |
|---|
| Comment |
Phenothiazine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07029 | Antipsychotics - phenothiazines |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
R RESPIRATORY SYSTEM
R06 ANTIHISTAMINES FOR SYSTEMIC USE
R06A ANTIHISTAMINES FOR SYSTEMIC USE
R06AD Phenothiazine derivatives
R06AD03 Thiethylperazine
D02610 Thiethylperazine malate (JAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG03200 Antipsychotic agent
DG01905 Phenothiazine antipsychotics
DG01102 Thiethylperazine
D02610 Thiethylperazine malate
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D02610 Thiethylperazine malate (JAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG03200 Antipsychotic agent
DG01905 Phenothiazine antipsychotics
DG01102 Thiethylperazine
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 45
1 O6a O 35.4200 -19.1100
2 C6a C 36.6324 -19.8100
3 C1c C 37.8449 -19.1100
4 C1b C 39.0573 -19.8100
5 C6a C 40.2697 -19.1100
6 O6a O 41.4822 -19.8100
7 O6a O 36.6324 -21.2098
8 O6a O 40.2697 -17.7101
9 O1a O 37.8449 -17.7102
10 C8y C 23.2400 -19.9500
11 N1y N 24.4300 -19.1800
12 C8y C 23.2400 -21.2800
13 C8x C 21.9800 -19.1800
14 C8y C 25.6200 -19.9500
15 S2x S 24.4300 -22.0500
16 C8x C 21.9800 -22.0500
17 C8x C 20.7900 -19.9500
18 C8y C 25.6200 -21.2800
19 C8x C 26.8800 -19.1800
20 C8x C 20.7900 -21.2800
21 C8x C 26.8800 -22.0500
22 C8y C 28.0700 -19.9500
23 C8x C 28.0700 -21.2800
24 S2a S 29.2600 -19.2500
25 C1b C 30.5200 -19.9500
26 C1a C 31.7100 -19.2500
27 C1b C 24.4300 -17.7800
28 C1b C 25.6900 -17.0800
29 C1b C 26.8800 -17.7800
30 N1y N 28.0700 -17.0800
31 C1x C 29.2600 -17.7100
32 C1x C 30.4500 -17.0100
33 N1y N 30.4500 -15.6100
34 C1x C 29.2600 -14.9800
35 C1x C 28.0700 -15.6800
36 C1a C 31.7100 -14.9100
37 O6a O 35.4200 -19.1100
38 C6a C 36.6324 -19.8100
39 C1c C 37.8449 -19.1100
40 C1b C 39.0573 -19.8100
41 C6a C 40.2697 -19.1100
42 O6a O 41.4822 -19.8100
43 O6a O 40.2697 -17.7101
44 O1a O 37.8449 -17.7102
45 O6a O 36.6324 -21.2098
BOND 46
1 10 11 1
2 10 12 2
3 10 13 1
4 11 14 1
5 12 15 1
6 12 16 1
7 13 17 2
8 14 18 2
9 14 19 1
10 16 20 2
11 18 21 1
12 19 22 2
13 21 23 2
14 15 18 1
15 17 20 1
16 22 23 1
17 22 24 1
18 24 25 1
19 25 26 1
20 11 27 1
21 27 28 1
22 28 29 1
23 29 30 1
24 30 31 1
25 31 32 1
26 32 33 1
27 33 34 1
28 34 35 1
29 30 35 1
30 33 36 1
31 1 2 1
32 2 3 1
33 3 4 1
34 4 5 1
35 5 6 1
36 2 7 2
37 5 8 2
38 3 9 1
39 37 38 1
40 38 39 1
41 39 40 1
42 40 41 1
43 41 42 1
44 38 45 2
45 41 43 2
46 39 44 1
BRACKET 1 33.9500 -22.1900 33.9500 -16.1700
1 42.9100 -16.1700 42.9100 -22.1900
1 2
ORIGINAL 1 1 2 3 4 5 6 8 9 7
REPEAT 1 37 38 39 40 41 42 43 44 45
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