| Entry |
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| Name |
Omeprazole magnesium (USAN);
Prilosec OTC (TN)
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| Product |
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| Formula |
(C17H18N3O3S)2. Mg
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| Exact mass |
712.1988
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| Mol weight |
713.1212
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| Structure |
     |
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| Activity |
Gastric and secretory depressant [DS: H00045]
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| Remark |
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| Comment |
proton pump inhibitor
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| Target |
H+/K+ exchanging, alpha polypeptide inhibitor [HSA: 495] [KO: K01542]; H+/K+ exchanging, beta polypeptide inhibitor [HSA: 496] [KO: K01543] |
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| Pathway |
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| Metabolism |
Enzyme: CYP2C19 [HSA: 1557], CYP3A4 [HSA: 1576]
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| Interaction |
Genomic biomarker: CYP2C19 [HSA: 1557]
CYP induction: CYP1A2 [HSA: 1544]
CYP inhibition: CYP2C19 [HSA: 1557]
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| Structure map |
| Antiulcer drugs | | Ion transporter inhibitors |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A02 DRUGS FOR ACID RELATED DISORDERS
A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
A02BC Proton pump inhibitors
A02BC01 Omeprazole
D05259 Omeprazole magnesium (USAN)
USP drug classification [BR:br08302]
Gastrointestinal Agents
Proton Pump Inhibitors
Omeprazole
D05259 Omeprazole magnesium (USAN)
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases
H+/K+ exchanging, polypeptide [HSA:495 496] [KO:K01542 K01543]
Omeprazol [ATC:A02BC01]
D05259 Omeprazole magnesium (USAN)
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| Other DBs |
CAS: 95382-33-5 PubChem: DrugBank: LigandBox: |
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| KCF data |
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 N4x 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 N4x 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
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