Responsive image

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

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

Responsive image

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 Responsive image S(O)C 0.0069
FDBF00362 2-[hydroxy(methyl)-λ3-sulfanyl]-1H-benzimidazole Responsive image [S](O)(c1[nH]c2c(n1)cccc2)C 0.0017
FDBF00371 benzimidazole Responsive image [nH]1c2c(nc1)cccc2 0.0045
FDBF00750 4-methoxy-3,5-dimethyl-pyridine Responsive image O(C)c1c(cncc1C)C 0.0007
FDBF00751 6-methoxy-1H-benzimidazole Responsive image O(C)c1cc2[nH]cnc2cc1 0.0007
FDBF00752 2,3,5-trimethylpyridine Responsive image n1c(c(cc(c1)C)C)C 0.0007
FDBF00753 2-(hydroxysulfanylmethyl)-3,5-dimethyl-pyridine Responsive image S(O)Cc1ncc(cc1C)C 0.0007
FDBF00754 4-methoxy-2,3,5-trimethyl-pyridine Responsive image O(C)c1c(c(ncc1C)C)C 0.0007
FDBF00755 2-[hydroxy(methyl)-λ3-sulfanyl]-6-methoxy-1H-benzimidazole Responsive image [S](O)(c1[nH]c2c(n1)ccc(c2)OC)C 0.0007
FDBF00756 3,5-dimethylpyridine Responsive image n1cc(cc(c1)C)C 0.0007
10 , 2