Database: DRUGEntry: D00455 D01207 D05259 D05261
LinkDB: D00455 D01207 D05259 D05261
ENTRY D00455 Drug
NAME Omeprazole (JAN/USP/INN);
Prilosec (TN)
FORMULA C17H19N3O3S
MASS 345.1147
TARGET H+,K+-ATPase inhibitor [EC:3.6.3.10] [PATH:hsa00190(3.6.3.10)]
METABOLISM CYP2C19 [HSA:1557], CYP3A4 [HSA:1576]
ACTIVITY Depressant [gastric acid secretory]
REMARK Same as: C07324
Therapeutic category: 2329
ATC code: A02BC01
PATHWAY PATH: map07038 Antacids
PRODUCTS OMEPRAZOLE (Dr Reddy's Lab), OMEPRAZOLE (Sandoz), OMEPRAZOLE (Sandoz), OMEPRAZOLE (Watson Lab), OMEPRAZOLE DELAYED-RELEASE (Apotex), Omeprazole Delayed-Release (Kremers Urban), PRILOSEC
DBLINKS CAS: 73590-58-6
PubChem: 7847521
DrugBank: DB00338
LigandBox: D00455
NIKKAJI: J33.884B
ATOM 24
1 C8x C 14.6300 -20.7200
2 C8y C 14.6300 -22.1200
3 C8x C 15.8424 -22.8200
4 C8y C 17.0549 -22.1200
5 C8y C 17.0549 -20.7200
6 C8x C 15.8424 -20.0200
7 N5x N 18.3864 -22.5526
8 C8y C 19.2093 -21.4200
9 N4x N 18.3864 -20.2874
10 S4a S 20.5800 -21.4200
11 O2a O 13.4176 -22.8200
12 C1a C 12.2221 -22.1296
13 C1b C 21.2800 -22.6324
14 O3c O 21.2800 -20.2076
15 C8y C 22.6798 -22.6324
16 C8y C 23.3703 -23.8280
17 C8y C 24.7703 -23.8278
18 C8y C 25.4701 -22.6153
19 C8x C 24.7797 -21.4198
20 N5x N 23.3797 -21.4199
21 C1a C 26.8800 -22.6152
22 O2a O 25.4610 -25.0232
23 C1a C 26.8796 -25.0232
24 C1a C 22.6849 -25.0152
BOND 26
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 8 10 1
12 2 11 1
13 11 12 1
14 10 13 1
15 10 14 2
16 13 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
23 18 21 1
24 17 22 1
25 22 23 1
26 16 24 1
///
ENTRY D01207 Drug
NAME Omeprazole sodium (USAN);
Losec sodium (TN)
FORMULA C17H18N3O3S. Na
MASS 367.0967
TARGET H+,K+-ATPase inhibitor [EC:3.6.3.10] [PATH:hsa00190(3.6.3.10)]
METABOLISM CYP2C19 [HSA:1557], CYP3A4 [HSA:1576]
ACTIVITY Antisecretory [gastric]
REMARK ATC code: A02BC01
PATHWAY PATH: map07038 Antacids
DBLINKS CAS: 95510-70-6
PubChem: 7848270
DrugBank: DB00338
LigandBox: D01207
ATOM 25
1 C8x C 22.6800 -19.3200
2 C8y C 22.6800 -20.7200
3 C8x C 23.9400 -21.4200
4 C8y C 25.1300 -20.7200
5 C8y C 25.1300 -19.3200
6 C8x C 23.9400 -18.6200
7 N5x N 26.4600 -21.1400
8 C8y C 27.3000 -20.0200
9 N5x N 26.4600 -18.9000 #-
10 S4a S 28.7000 -20.0200
11 O2a O 21.4200 -21.4200
12 C1a C 20.2300 -20.7200
13 C1b C 29.4000 -21.2100
14 O3c O 29.4000 -18.8300
15 C8y C 30.8000 -21.2100
16 C8y C 31.5000 -22.4000
17 C8y C 32.9000 -22.4000
18 C8y C 33.6000 -21.2100
19 C8x C 32.9000 -20.0200
20 N5x N 31.5000 -20.0200
21 C1a C 35.0000 -21.2100
22 O2a O 33.6000 -23.6600
23 C1a C 35.0000 -23.6600
24 C1a C 30.8000 -23.5900
25 Z Na 27.6500 -16.9400 #+
BOND 26
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 8 10 1
12 2 11 1
13 11 12 1
14 10 13 1
15 10 14 2
16 13 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
23 18 21 1
24 17 22 1
25 22 23 1
26 16 24 1
///
ENTRY D05259 Drug
NAME Omeprazole magnesium (USAN);
Prilosec OTC (TN)
FORMULA (C17H18N3O3S)2. Mg
MASS 712.1988
TARGET H+,K+-ATPase inhibitor [EC:3.6.3.10] [PATH:hsa00190(3.6.3.10)]
METABOLISM CYP2C19 [HSA:1557], CYP3A4 [HSA:1576]
ACTIVITY Gastric and secretory depressant
REMARK ATC code: A02BC01
PATHWAY PATH: map07038 Antacids
DBLINKS CAS: 95382-33-5
PubChem: 17398261
DrugBank: DB00338
LigandBox: D05259
ATOM 49
1 Z Mg 39.5425 -21.5845 #2+
2 C8x C 22.6100 -19.3200
3 C8y C 22.6100 -20.7200
4 C8x C 23.8700 -21.4200
5 C8y C 25.0600 -20.7200
6 C8y C 25.0600 -19.3200
7 C8x C 23.8700 -18.6200
8 N5x N 26.3900 -21.1400
9 C8y C 27.2300 -20.0200
10 N5x N 26.3900 -18.9000 #-
11 S4a S 28.6300 -20.0200
12 O2a O 21.3500 -21.4200
13 C1a C 20.1600 -20.7200
14 C1b C 29.3300 -21.2100
15 O3c O 29.3300 -18.8300
16 C8y C 30.7300 -21.2100
17 C8y C 31.4300 -22.4000
18 C8y C 32.9000 -22.4000
19 C8y C 33.6000 -21.2100
20 C8x C 32.9000 -20.0200
21 N5x N 31.4300 -20.0200
22 C1a C 35.0000 -21.2100
23 O2a O 33.6000 -23.6600
24 C1a C 35.0000 -23.6600
25 C1a C 30.7300 -23.5900
26 C8x C 22.6100 -19.3200
27 C8y C 22.6100 -20.7200
28 C8x C 23.8700 -21.4200
29 C8y C 25.0600 -20.7200
30 C8y C 25.0600 -19.3200
31 C8x C 23.8700 -18.6200
32 N5x N 26.3900 -18.9000 #-
33 C8y C 27.2300 -20.0200
34 N5x N 26.3900 -21.1400
35 S4a S 28.6300 -20.0200
36 C1b C 29.3300 -21.2100
37 C8y C 30.7300 -21.2100
38 C8y C 31.4300 -22.4000
39 C8y C 32.9000 -22.4000
40 C8y C 33.6000 -21.2100
41 C8x C 32.9000 -20.0200
42 N5x N 31.4300 -20.0200
43 C1a C 35.0000 -21.2100
44 O2a O 33.6000 -23.6600
45 C1a C 35.0000 -23.6600
46 C1a C 30.7300 -23.5900
47 O3c O 29.3300 -18.8300
48 O2a O 21.3500 -21.4200
49 C1a C 20.1600 -20.7200
BOND 52
1 2 3 2
2 3 4 1
3 4 5 2
4 5 6 1
5 6 7 2
6 2 7 1
7 5 8 1
8 8 9 2
9 9 10 1
10 6 10 1
11 9 11 1
12 3 12 1
13 12 13 1
14 11 14 1
15 11 15 2
16 14 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 16 21 1
23 19 22 1
24 18 23 1
25 23 24 1
26 17 25 1
27 26 27 2
28 27 28 1
29 28 29 2
30 29 30 1
31 30 31 2
32 26 31 1
33 29 34 1
34 34 33 2
35 33 32 1
36 30 32 1
37 33 35 1
38 27 48 1
39 48 49 1
40 35 36 1
41 35 47 2
42 36 37 1
43 37 38 2
44 38 39 1
45 39 40 2
46 40 41 1
47 41 42 2
48 37 42 1
49 40 43 1
50 39 44 1
51 44 45 1
52 38 46 1
BRACKET 1 18.2700 -25.0600 18.2700 -17.1500
1 37.1700 -17.1500 37.1700 -25.0600
1 2
ORIGINAL 1 2 3 4 5 6 7 10 9 8 11 14 16 17 18 19 20
1 21 22 23 24 25 15 12 13
REPEAT 1 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41
1 42 43 44 45 46 47 48 49
///
ENTRY D05261 Drug
NAME Omeprazole sodium injection (JAN);
Omeprazole sodium hydrate;
Omepral (TN)
FORMULA C17H18N3O3S. Na. H2O
MASS 385.1072
TARGET H+,K+-ATPase inhibitor [EC:3.6.3.10] [PATH:hsa00190(3.6.3.10)]
METABOLISM CYP2C19 [HSA:1557], CYP3A4 [HSA:1576]
ACTIVITY Depressant [gastric acid secretory]
REMARK Therapeutic category: 2329
ATC code: A02BC01
PATHWAY PATH: map07038 Antacids
DBLINKS PubChem: 17398263
DrugBank: DB00338
LigandBox: D05261
ATOM 26
1 O0 O 35.3501 -17.9200
2 C8x C 22.6100 -20.1600
3 C8y C 22.6100 -21.5600
4 C8x C 23.8700 -22.2600
5 C8y C 25.0600 -21.5600
6 C8y C 25.0600 -20.1600
7 C8x C 23.8700 -19.4600
8 N5x N 26.3900 -21.9800
9 C8y C 27.2300 -20.8600
10 N5x N 26.3900 -19.7400 #-
11 S4a S 28.6300 -20.8600
12 O2a O 21.3500 -22.2600
13 C1a C 20.1600 -21.5600
14 C1b C 29.3300 -22.0500
15 O3c O 29.3300 -19.6700
16 C8y C 30.7300 -22.0500
17 C8y C 31.4300 -23.2400
18 C8y C 32.9000 -23.2400
19 C8y C 33.6000 -22.0500
20 C8x C 32.9000 -20.8600
21 N5x N 31.4300 -20.8600
22 C1a C 35.0000 -22.0500
23 O2a O 33.6000 -24.5000
24 C1a C 35.0000 -24.5000
25 C1a C 30.7300 -24.4300
26 Z Na 27.5800 -17.7800 #+
BOND 26
1 2 3 2
2 3 4 1
3 4 5 2
4 5 6 1
5 6 7 2
6 2 7 1
7 5 8 1
8 8 9 2
9 9 10 1
10 6 10 1
11 9 11 1
12 3 12 1
13 12 13 1
14 11 14 1
15 11 15 2
16 14 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 16 21 1
23 19 22 1
24 18 23 1
25 23 24 1
26 17 25 1
///
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