| Entry |
|
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| Name |
Omeprazole sodium injection (JAN);
Omeprazole sodium hydrate;
Omepral (TN)
|
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| Formula |
C17H18N3O3S. Na. H2O
|
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| Exact mass |
385.1072
|
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| Mol weight |
385.4132
|
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| Structure |
     |
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| Activity |
Depressant [gastric acid secretory] [DS: H00045]
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| Remark |
Therapeutic category: ATC code: |
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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] |
|---|
| 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 |
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
23 Digestive organ agents
232 Peptic ulcer agents
2329 Others
D05261 Omeprazole sodium injection (JAN)
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
D05261 Omeprazole sodium injection (JAN)
USP drug classification [BR:br08302]
Gastrointestinal Agents
Proton Pump Inhibitors
Omeprazole
D05261 Omeprazole sodium injection (JAN)
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases
H+/K+ exchanging, polypeptide [HSA:495 496] [KO:K01542 K01543]
Omeprazol [ATC:A02BC01]
D05261 Omeprazole sodium injection (JAN)
 |
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| Other DBs |
PubChem: DrugBank: LigandBox: |
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| KCF data |
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 N4x 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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