RABEPRAZOLE SODIUM

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Synonyms
Status
Molecule Category Salt-form
UNII 3L36P16U4R
EPA CompTox DTXSID3044205

Structure

InChI Key KRCQSTCYZUOBHN-UHFFFAOYSA-N
Smiles COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[n-]2)c1C.[Na+]
InChI
InChI=1S/C18H20N3O3S.Na/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;/q-1;+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H20N3NaO3S
Molecular Weight 381.43
AlogP 2.99
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 77.1
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Potassium-transporting ATPase inhibitor INHIBITOR PubMed PubMed DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Sus scrofa
- - - - 90

Target Conservation

Protein: Potassium-transporting ATPase
Description: Potassium-transporting ATPase alpha chain 1
Organism : Homo sapiens
P20648 ENSG00000105675
Protein: Potassium-transporting ATPase
Description: Potassium-transporting ATPase subunit beta
Organism : Homo sapiens
P51164 ENSG00000186009

Cross References

Resources Reference
ChEBI 8769
ChEMBL CHEMBL1200930
FDA SRS 3L36P16U4R
KEGG C07865
SureChEMBL SCHEMBL140494
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