
IUPAC name
6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
SMILES
COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1C
Compound class
Enzyme Inhibitors; Anti-Ulcer Agents; Proton Pump Inhibitors; Alimentary Tract and Metabolism; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Combined Inhibitors of CYP3A4 and P-glycoprotein;
Therapeutic area
Omeprazole is indicated for the treatment of duodenal ulcers, benign gastric ulcers, gastroesophageal reflux disease (GERD), heartburn and other symptoms associated with GERD, erosive esophagitis, and long-term treatment of pathological hypersecretory conditions like Zollinger-Ellison syndrome, multiple endocrine adenomas, and systemic mastocytosis.
Common name
Omeprazole
IUPAC name
6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
SMILES
COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1C
INCHI
InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
FORMULA
C17H19N3O3S

Common name
Omeprazole
IUPAC name
6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
Molecular weight
345.416
clogP
3.162
clogS
-5.867
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
77.1
Number of Rings
3
Rotatable Bond
5
Drug ID | Common name | Structure CAS | SMILE | Frequency |
---|---|---|---|---|
FDBF00356 | hydroxysulfanylmethane |
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S(O)C | 0.0069 |
FDBF00362 | 2-[hydroxy(methyl)-λ3-sulfanyl]-1H-benzimidazole |
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[S](O)(c1[nH]c2c(n1)cccc2)C | 0.0017 |
FDBF00371 | benzimidazole |
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[nH]1c2c(nc1)cccc2 | 0.0045 |
FDBF00750 | 4-methoxy-3,5-dimethyl-pyridine |
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O(C)c1c(cncc1C)C | 0.0007 |
FDBF00751 | 6-methoxy-1H-benzimidazole |
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O(C)c1cc2[nH]cnc2cc1 | 0.0007 |
FDBF00752 | 2,3,5-trimethylpyridine |
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n1c(c(cc(c1)C)C)C | 0.0007 |
FDBF00753 | 2-(hydroxysulfanylmethyl)-3,5-dimethyl-pyridine |
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S(O)Cc1ncc(cc1C)C | 0.0007 |
FDBF00754 | 4-methoxy-2,3,5-trimethyl-pyridine |
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O(C)c1c(c(ncc1C)C)C | 0.0007 |
FDBF00755 | 2-[hydroxy(methyl)-λ3-sulfanyl]-6-methoxy-1H-benzimidazole |
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[S](O)(c1[nH]c2c(n1)ccc(c2)OC)C | 0.0007 |
FDBF00756 | 3,5-dimethylpyridine |
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n1cc(cc(c1)C)C | 0.0007 |