IUPAC name
6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
SMILES
COC1=C(OC)C(CS(=O)C2=NC3=C(N2)C=C(OC(F)F)C=C3)=NC=C1
Compound class
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 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; CYP3A4 Inhibitors;
Therapeutic area
Short-term (up to 16 weeks) treatment of erosive esophagitis.
Common name
Pantoprazole
IUPAC name
6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
SMILES
COC1=C(OC)C(CS(=O)C2=NC3=C(N2)C=C(OC(F)F)C=C3)=NC=C1
INCHI
InChI=1S/C16H15F2N3O4S/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)
FORMULA
C16H15F2N3O4S
Common name
Pantoprazole
IUPAC name
6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
Molecular weight
383.370
clogP
2.623
clogS
-5.261
HBond Acceptor
6
HBond Donor
1
Total Polar Surface Area
86.33
Number of Rings
3
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00357 | 3-methoxypyridine |
|
O(C)c1cnccc1 | 0.0007 |
| FDBF00358 | 3H-benzimidazol-5-ol |
|
Oc1ccc2c(c1)[nH]cn2 | 0.0003 |
| FDBF00360 | 4-methoxypyridine |
|
O(C)c1ccncc1 | 0.0003 |
| FDBF00361 | 2-methylpyridine |
|
n1c(cccc1)C | 0.0058 |
| FDBF00362 | 2-[hydroxy(methyl)-λ3-sulfanyl]-1H-benzimidazole |
|
[S](O)(c1[nH]c2c(n1)cccc2)C | 0.0017 |
| FDBF00363 | 2-(hydroxysulfanylmethyl)pyridine |
|
S(O)Cc1ncccc1 | 0.0003 |
| FDBF00365 | 3-methoxy-2-methyl-pyridine |
|
O(C)c1c(nccc1)C | 0.0003 |
| FDBF00366 | 6-(difluoromethoxy)-1H-benzimidazole |
|
FC(F)Oc1ccc2c(c1)[nH]cn2 | 0.0003 |
| FDBF00367 | 4-methoxy-2-methyl-pyridine |
|
O(C)c1cc(ncc1)C | 0.0003 |
| FDBF00369 | 6-(difluoromethoxy)-2-[hydroxy(methyl)-λ3-sulfanyl]-1H-benzimidazole |
|
[S](O)(c1[nH]c2c(n1)ccc(c2)OC(F)F)C | 0.0003 |
