
IUPAC name
2-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole
SMILES
COCCCOC1=C(C)C(CS(=O)C2=NC3=CC=CC=C3N2)=NC=C1
Compound class
Enzyme Inhibitors; Anti-Ulcer Agents; Proton Pump Inhibitors; Alimentary Tract and Metabolism; Musculo-Skeletal System; Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord); Drugs for Acid Related Disorders; Antiinflammatory and Antirheumatic Products, Non-Steroids; Antiinflammatory and Antirheumatic Products; Antiinflammatory Preparations, Non-Steroids for Topical Use; Topical Products for Joint and Muscular Pain; Butylpyrazolidines; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For the treatment of acid-reflux disorders (GERD), peptic ulcer disease, H. pylori eradication, and prevention of gastroinetestinal bleeds with NSAID use.
Common name
Rabeprazole
IUPAC name
2-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole
SMILES
COCCCOC1=C(C)C(CS(=O)C2=NC3=CC=CC=C3N2)=NC=C1
INCHI
InChI=1S/C18H21N3O3S/c1-13-16(19-9-8-17(13)24-11-5-10-23-2)12-25(22)18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)
FORMULA
C18H21N3O3S

Common name
Rabeprazole
IUPAC name
2-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole
Molecular weight
359.443
clogP
3.287
clogS
-5.994
HBond Acceptor
5
HBond Donor
1
Total Polar Surface Area
77.1
Number of Rings
3
Rotatable Bond
8
Drug ID | Common name | Structure CAS | SMILE | Frequency |
---|---|---|---|---|
FDBF00041 | ethanol |
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CCO | 0.1474 |
FDBF00169 | 1-methoxypropane |
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CCCOC | 0.0062 |
FDBF00973 | 2,3-dimethylpyridine |
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n1c(c(ccc1)C)C | 0.0007 |
FDBF00977 | 2-(hydroxysulfanylmethyl)-3-methyl-pyridine |
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n1c(c(ccc1)C)CSO | 0.0007 |
FDBF00978 | 4-methoxy-3-methyl-pyridine |
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COc1c(cncc1)C | 0.0007 |
FDBF00979 | 4-methoxy-2,3-dimethyl-pyridine |
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COc1c(c(ncc1)C)C | 0.0007 |
FDBF02555 | 4-ethoxy-3-methyl-pyridine |
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O(c1c(cncc1)C)CC | 0.0003 |
FDBF02556 | 4-ethoxy-2,3-dimethyl-pyridine |
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O(c1c(c(ncc1)C)C)CC | 0.0003 |
FDBF02558 | 3-methoxypropan-1-ol |
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OCCCOC | 0.0007 |
FDBF02559 | 2,3-dimethyl-4-propoxy-pyridine |
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O(c1c(c(ncc1)C)C)CCC | 0.0003 |