| Entry |
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|---|
| Name |
Thiothixene hydrochloride (USP);
Thiothixene dihydrochloride dihydrate;
Tiotixene dihydrochloride;
Thiothixene hydrochloride (TN) |
|---|
| Formula |
C23H29N3O2S2. 2HCl. 2H2O
|
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| Exact mass |
551.1446
|
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| Mol weight |
552.5777
|
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| Structure |
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| Simcomp |
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| Class |
Neuropsychiatric agent
DG01478 Dopamine antagonist
|
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| Remark |
| Product (DG00895): | D00374<US> |
|
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| Efficacy |
Antipsychotic, Dopamine receptor antagonist |
|---|
| Comment |
Thioxanthene derivative
|
|---|
| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Interaction |
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| Structure map |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N05 PSYCHOLEPTICS
N05A ANTIPSYCHOTICS
N05AF Thioxanthene derivatives
N05AF04 Tiotixene
D02612 Thiothixene hydrochloride (USP)
USP drug classification [BR:br08302]
Antipsychotics
1st Generation/Typical
Thiothixene
D02612 Thiothixene hydrochloride (USP)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01478 Dopamine antagonist
DG00895 Tiotixene
D02612 Thiothixene hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD2
D02612 Thiothixene hydrochloride (USP)
DRD3
D02612 Thiothixene hydrochloride (USP)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01478 Dopamine antagonist
DG00895 Tiotixene
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 34
1 C8x C 12.6879 -20.4060
2 C8x C 12.6879 -21.8087
3 C8x C 13.9027 -22.5100
4 C8y C 15.1175 -21.8087
5 C8y C 15.1175 -20.4060
6 C8x C 13.9027 -19.7046
7 S2x S 16.3322 -22.5100
8 C8y C 17.5470 -21.8087
9 C8y C 17.5470 -20.4060
10 C8y C 16.3322 -19.7046
11 C8x C 18.7618 -22.5100
12 C8x C 19.9765 -21.8087
13 C8y C 19.9765 -20.4060
14 C8x C 18.7618 -19.7046
15 C2b C 16.3322 -18.3019
16 C1b C 17.5491 -17.5994
17 C1b C 17.5491 -16.1967
18 N1y N 18.7469 -15.5050
19 C1x C 19.9374 -16.1924
20 C1x C 21.1522 -15.4910
21 N1y N 21.1522 -14.0883
22 C1x C 19.9616 -13.4009
23 C1x C 18.7469 -14.1023
24 C1a C 22.3809 -13.3787
25 S4a S 21.1954 -19.7023
26 N1c N 22.3952 -20.3952
27 C1a C 23.5837 -19.7089
28 C1a C 22.3953 -21.8084
29 O3c O 22.1872 -18.7104
30 O3c O 20.2035 -18.7104
31 X Cl 28.3993 -17.9546
32 O0 O 28.9100 -20.6500
33 X Cl 28.3993 -17.9546
34 O0 O 28.9100 -20.6500
BOND 33
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 1
12 8 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 10 15 2
18 15 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 18 23 1
27 21 24 1
28 13 25 1
29 25 26 1
30 26 27 1
31 26 28 1
32 25 29 2
33 25 30 2
BRACKET 1 26.7400 -18.7600 26.7400 -16.9400
1 29.3300 -16.9400 29.3300 -18.7600
1 2
ORIGINAL 1 31
REPEAT 1 33
2 26.6700 -21.4900 26.6700 -19.8100
2 29.6800 -19.8100 29.6800 -21.4900
2 2
ORIGINAL 2 32
REPEAT 2 34
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