pantoprazole   Click here for help

GtoPdb Ligand ID: 7260

Synonyms: BY-1023 | Protonix® | SK-96022
Approved drug
pantoprazole is an approved drug (FDA (2000), EMA (2009))
Compound class: Synthetic organic
Comment: Pantoprazole is a proton pump inhibitor.
Marketed formulations may contain pantoprazole sodium (PubChem CID 15008962) or pantoprazole sodium sesquihydrate (PubChem CID 23690067).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 105.54
Molecular weight 383.08
XLogP 0.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F
Isomeric SMILES COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F
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)
InChI Key IQPSEEYGBUAQFF-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2000), EMA (2009))
IUPAC Name Click here for help
6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
International Nonproprietary Names Click here for help
INN number INN
6548 pantoprazole
Synonyms Click here for help
BY-1023 | Protonix® | SK-96022
Database Links Click here for help
BitterDB Ligand 934
CAS Registry No. 102625-70-7
ChEMBL Ligand CHEMBL1502
DrugBank Ligand DB00213
DrugCentral Ligand 2054
GtoPdb PubChem SID 178103834
PubChem CID 4679
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Wikipedia Pantoprazole