| Entry |
|
|---|
| Name |
Butaclamol hydrochloride (USAN) |
|---|
| Formula |
C25H31NO. HCl
|
|---|
| Exact mass |
397.2172
|
|---|
| Mol weight |
397.98
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01478 Dopamine antagonist
|
|---|
| Efficacy |
Antipsychotic |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01478 Dopamine antagonist
D02641 Butaclamol hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Dopamine
DRD1
D02641 Butaclamol hydrochloride (USAN)
DRD2
D02641 Butaclamol hydrochloride (USAN)
|
|---|
| Other DBs |
|
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| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C1x C 38.1323 -20.2909
2 C8y C 37.2912 -19.1826
3 C8y C 37.6260 -17.8274
4 C1y C 38.8856 -17.2500
5 C1x C 39.5365 -20.3161
6 C8y C 40.1377 -17.8716
7 C8y C 40.4239 -19.2387
8 C8x C 36.6201 -16.8602
9 C8x C 35.2797 -17.2478
10 C8x C 34.9449 -18.6030
11 C8x C 35.9508 -19.5700
12 C8x C 41.7535 -19.6753
13 C8x C 42.7965 -18.7420
14 C8x C 42.5104 -17.3749
15 C8y C 41.1806 -16.9383
16 C1x C 38.9070 -15.8169
17 N1y N 40.0665 -15.1313
18 C1y C 41.1790 -15.8260
19 C1x C 42.4149 -15.1683
20 C1z C 42.3933 -13.7691
21 C1x C 41.2108 -13.0745
22 C1x C 40.0449 -13.7322
23 C1d C 42.8433 -12.6379
24 O1a O 43.6418 -14.4735
25 C1a C 43.5433 -11.4255
26 C1a C 41.5935 -12.0327
27 C1a C 44.1130 -13.2527
28 X Cl 44.9400 -16.5900
BOND 31
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 2 11 2
13 7 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 6 15 2
18 4 16 1
19 16 17 1
20 17 18 1
21 18 15 1
22 18 19 1
23 19 20 1
24 20 21 1
25 21 22 1
26 17 22 1
27 20 23 1 #Down
28 20 24 1 #Up
29 23 25 1
30 23 26 1
31 23 27 1
|
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