rabeprazole   Click here for help

GtoPdb Ligand ID: 7290

Synonyms: AcipHex® | E-3810 | Pariet®
Approved drug
rabeprazole is an approved drug (FDA (1999))
Compound class: Synthetic organic
Comment: Rabeprazole is a proton pump inhibitor. This compound is a prodrug which is converted into the active sulphenamide form in the acid environment of the parietal cells.
Marketed formulations may contain rabeprazole sodium (PubChem CID 14720269).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 96.31
Molecular weight 359.13
XLogP 0.63
No. Lipinski's rules broken 0
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Canonical SMILES COCCCOc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cccc2
Isomeric SMILES COCCCOc1ccnc(c1C)CS(=O)c1nc2c([nH]1)cccc2
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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1999))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7112 rabeprazole
Synonyms Click here for help
AcipHex® | E-3810 | Pariet®
Database Links Click here for help
CAS Registry No. 17976-89-3
ChEMBL Ligand CHEMBL1219
DrugBank Ligand DB01129
DrugCentral Ligand 2350
GtoPdb PubChem SID 178103864
PubChem CID 5029
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Wikipedia Rabeprazole