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
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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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2000), EMA (2009))
IUPAC Name Click here for help
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
Search Google for chemical match using the InChIKey IQPSEEYGBUAQFF-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey IQPSEEYGBUAQFF-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey IQPSEEYGBUAQFF-UHFFFAOYSA-N
Wikipedia Pantoprazole