IUPAC name
2-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole
SMILES
CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC=CC=C2N1
Compound class
Enzyme Inhibitors; Anti-Ulcer Agents; Proton Pump Inhibitors; Anti-Infective Agents; 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
For the treatment of acid-reflux disorders (GERD), peptic ulcer disease, H. pylori eradication, and prevention of gastroinetestinal bleeds with NSAID use.
Common name
Lansoprazole
IUPAC name
2-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole
SMILES
CC1=C(OCC(F)(F)F)C=CN=C1CS(=O)C1=NC2=CC=CC=C2N1
INCHI
InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
FORMULA
C16H14F3N3O2S
Common name
Lansoprazole
IUPAC name
2-{[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanesulfinyl}-1H-1,3-benzodiazole
Molecular weight
369.361
clogP
3.539
clogS
-5.936
HBond Acceptor
4
HBond Donor
1
Total Polar Surface Area
67.87
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF00362 | 2-[hydroxy(methyl)-λ3-sulfanyl]-1H-benzimidazole |
|
[S](O)(c1[nH]c2c(n1)cccc2)C | 0.0017 |
| FDBF00972 | 3-methylpyridin-4-ol |
|
n1cc(c(cc1)O)C | 0.0007 |
| FDBF00973 | 2,3-dimethylpyridine |
|
n1c(c(ccc1)C)C | 0.0007 |
| FDBF00974 | 1,1,1-trifluoroethane |
|
CC(F)(F)F | 0.0072 |
| FDBF00975 | 2,3-dimethylpyridin-4-ol |
|
n1c(c(c(cc1)O)C)C | 0.0007 |
| FDBF00977 | 2-(hydroxysulfanylmethyl)-3-methyl-pyridine |
|
n1c(c(ccc1)C)CSO | 0.0007 |
| FDBF00978 | 4-methoxy-3-methyl-pyridine |
|
COc1c(cncc1)C | 0.0007 |
| FDBF00979 | 4-methoxy-2,3-dimethyl-pyridine |
|
COc1c(c(ncc1)C)C | 0.0007 |
| FDBF00980 | 3-methyl-4-(2,2,2-trifluoroethoxy)pyridine |
|
C(Oc1c(cncc1)C)C(F)(F)F | 0.0003 |
