Entry |
|
Name |
Penaprazole sodium hydrate (JAN) |
Formula |
C18H18N3O2S. 2H2O. Na
|
Exact mass |
399.1229
|
Mol weight |
399.4397
|
Structure |
|
Class |
Gastrointestinal agent
DG01975 Agents for peptic ulcer
DG01646 Proton pump inhibitor (PPI)
|
Efficacy |
Anti-ulcerative, Proton pump inhibitor |
Comment |
Benzimidazole derivative
|
Target |
|
Pathway |
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Gastrointestinal agent
DG01975 Agents for peptic ulcer
DG01646 Proton pump inhibitor (PPI)
D09837 Penaprazole sodium hydrate
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
ATPase
ATP4
D09837 Penaprazole sodium hydrate (JAN)
|
Other DBs |
|
KCF data |
ATOM 27
1 Z Na 16.3100 -25.4100 #+
2 O0 O 26.1100 -25.8300
3 C8x C 13.0900 -27.0900
4 C8x C 13.0900 -28.4900
5 C8x C 14.2800 -29.1900
6 C8y C 15.5400 -28.4900
7 C8y C 15.5400 -27.0900
8 C8x C 14.2800 -26.3900
9 N5x N 16.8700 -28.9100
10 C8y C 17.6400 -27.7900
11 N4x N 16.8700 -26.6700 #-
12 S4a S 19.0400 -27.7900
13 C1y C 19.7400 -28.9800
14 O3c O 19.7400 -26.6000
15 C1x C 18.8300 -30.0300
16 C8y C 21.1400 -28.9800
17 C8y C 21.9800 -30.1000
18 C1x C 19.1100 -31.3600
19 C1x C 21.6300 -31.5000
20 C1x C 20.3000 -32.0600
21 C8y C 23.3699 -29.9325
22 C8x C 23.9199 -28.6451
23 C8x C 23.0799 -27.5251
24 N5x N 21.6899 -27.6925
25 O2a O 24.2269 -31.0748
26 C1a C 25.6094 -31.0481
27 O0 O 26.1100 -25.8300
BOND 27
1 3 4 2
2 4 5 1
3 5 6 2
4 6 7 1
5 7 8 2
6 3 8 1
7 6 9 1
8 9 10 2
9 10 11 1
10 7 11 1
11 10 12 1
12 12 13 1
13 12 14 2
14 16 17 2
15 15 18 1
16 17 19 1
17 13 16 1
18 18 20 1
19 15 13 1
20 19 20 1
21 17 21 1
22 21 22 2
23 22 23 1
24 23 24 2
25 16 24 1
26 21 25 1
27 25 26 1
BRACKET 1 24.2200 -26.3900 24.2200 -25.2700
1 26.4600 -25.2700 26.4600 -26.3900
1 2
ORIGINAL 1 2
REPEAT 1 27
|