| Entry |
|
|---|
| Name |
Bavisant dihydrochloride (USAN) |
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| Formula |
C19H27N3O2. 2HCl. H2O
|
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| Exact mass |
419.1742
|
|---|
| Mol weight |
420.37
|
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| Structure |
|
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| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Nootropic, H3 receptor antagonist |
|---|
| Comment |
Treatment of disorders of cognition and wakefulness
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH3
D09871 Bavisant dihydrochloride (USAN)
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 27
1 O2x O 20.3700 -28.3500
2 C1x C 20.3700 -29.7500
3 C1x C 21.5600 -30.4500
4 N1y N 22.8200 -29.7500
5 C1x C 22.8200 -28.3500
6 C1x C 21.5600 -27.6500
7 C1b C 24.0100 -30.4500
8 C8y C 25.2000 -29.7500
9 C8x C 26.3900 -30.4500
10 C8x C 27.6500 -29.7500
11 C8y C 27.6500 -28.3500
12 C8x C 26.4600 -27.6500
13 C8x C 25.2000 -28.3500
14 C5a C 28.8400 -27.6500
15 N1y N 30.0300 -28.3500
16 C1x C 30.0300 -29.7500
17 C1x C 31.2900 -30.4500
18 N1y N 32.4800 -29.7500
19 C1x C 32.4800 -28.3500
20 C1x C 31.2900 -27.6500
21 C1y C 33.6700 -30.4500
22 C1x C 35.0700 -30.4500
23 C1x C 34.3700 -31.6400
24 O5a O 28.8400 -26.2500
25 X Cl 26.8800 -32.7600
26 O0 O 27.3700 -34.7200
27 X Cl 26.8800 -32.7600
BOND 27
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 11 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 15 20 1
23 18 21 1
24 21 22 1
25 22 23 1
26 21 23 1
27 14 24 2
BRACKET 1 25.5500 -33.3200 25.5500 -31.9900
1 27.5800 -31.9900 27.5800 -33.3200
1 2
ORIGINAL 1 25
REPEAT 1 27
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