Responsive image

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

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

Responsive image

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 Responsive image CCO 0.1474
FDBF00169 1-methoxypropane Responsive image CCCOC 0.0062
FDBF00973 2,3-dimethylpyridine Responsive image n1c(c(ccc1)C)C 0.0007
FDBF00977 2-(hydroxysulfanylmethyl)-3-methyl-pyridine Responsive image n1c(c(ccc1)C)CSO 0.0007
FDBF00978 4-methoxy-3-methyl-pyridine Responsive image COc1c(cncc1)C 0.0007
FDBF00979 4-methoxy-2,3-dimethyl-pyridine Responsive image COc1c(c(ncc1)C)C 0.0007
FDBF02555 4-ethoxy-3-methyl-pyridine Responsive image O(c1c(cncc1)C)CC 0.0003
FDBF02556 4-ethoxy-2,3-dimethyl-pyridine Responsive image O(c1c(c(ncc1)C)C)CC 0.0003
FDBF02558 3-methoxypropan-1-ol Responsive image OCCCOC 0.0007
FDBF02559 2,3-dimethyl-4-propoxy-pyridine Responsive image O(c1c(c(ncc1)C)C)CCC 0.0003
21 , 3