Entry
Name
Thiethylperazine malate (JAN); Torecan (TN)
Formula
C22H29N3S2. (C4H6O5)2
Exact mass
667.2233
Mol weight
667.7906
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Class
Neuropsychiatric agent
DG03200 Antipsychotic agent
DG01905 Phenothiazine antipsychotics
Remark
Efficacy
Anti-emetic, Antipsychotic, Antivertigo, Dopamine D2 receptor antagonist
Comment
Phenothiazine derivative
Target
Pathway
hsa04080 Neuroactive ligand-receptor interaction
Interaction
DDI search
Structure map
map07029 Antipsychotics - phenothiazines
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
BRITE hierarchy
Other DBs
KCF data
Show 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