| Entry |
|
|---|
| Name |
Loprazolam mesilate;
Loprazolam mesylate;
Loprazolam methanesulfonate;
Havlane (TN) |
|---|
| Formula |
C23H21ClN6O3. CH4SO3
|
|---|
| Exact mass |
560.1245
|
|---|
| Mol weight |
561.0099
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01835 Benzodiazepine sedative-hypnotics
DG01567 GABA-A receptor agonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Sedative-hypnotic |
|---|
| Comment |
Benzodiazepine derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N05 PSYCHOLEPTICS
N05C HYPNOTICS AND SEDATIVES
N05CD Benzodiazepine derivatives
N05CD11 Loprazolam
D08145 Loprazolam mesilate
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
GABA (ionotropic)
GABR
D08145 Loprazolam mesilate
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 38
1 C2y C 21.4200 -18.6900
2 C8y C 21.9800 -17.4300
3 C8y C 23.3800 -17.0100
4 N1y N 24.5000 -17.8500
5 N2x N 22.1200 -19.9500
6 C2y C 24.5000 -19.2500
7 C1x C 23.4500 -20.1600
8 N2x N 25.9000 -19.6000
9 C2y C 26.6700 -18.4800
10 C5x C 25.7600 -17.3600
11 C8y C 20.0200 -18.6900
12 C8x C 19.2500 -17.5700
13 C8x C 17.8500 -17.6400
14 C8x C 17.2200 -18.8300
15 C8x C 17.9200 -20.0200
16 C8y C 19.3200 -19.9500
17 C2b C 28.0700 -18.4100
18 N1y N 28.7700 -19.6000
19 C1x C 28.1400 -20.7900
20 C1x C 28.9100 -21.9800
21 N1y N 30.3100 -21.9100
22 C1x C 30.9400 -20.7200
23 C1x C 30.1700 -19.5300
24 C8x C 23.7300 -15.6800
25 C8x C 22.7500 -14.7000
26 C8y C 21.3500 -15.0500
27 C8x C 21.0000 -16.3800
28 N2b N 20.3700 -14.0700 #+
29 O3a O 18.9700 -14.4200
30 O3a O 20.7200 -12.7400 #-
31 X Cl 20.0900 -21.1400
32 O5x O 26.1800 -16.0300
33 C1a C 31.0800 -23.1000
34 S4a S 35.0000 -17.5700
35 C1a C 36.4000 -17.5700
36 O1d O 33.6000 -17.5700
37 O1d O 35.0000 -16.1700
38 O1d O 35.0000 -18.9700
BOND 41
1 3 4 1
2 1 5 2
3 4 6 1
4 2 3 2
5 5 7 1
6 1 2 1
7 6 7 1
8 6 8 2
9 8 9 1
10 9 10 1
11 4 10 1
12 1 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 9 17 2
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 3 24 1
28 24 25 2
29 25 26 1
30 26 27 2
31 2 27 1
32 26 28 1
33 28 29 2
34 28 30 1
35 16 31 1
36 10 32 2
37 21 33 1
38 34 35 1
39 34 36 1
40 34 37 2
41 34 38 2
|
|---|
