RABEPRAZOLE SODIUM

Search structure
Synonyms:
Status: Approved (1999)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3L36P16U4R

Structure
InChI Key KRCQSTCYZUOBHN-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Potassium-transporting ATPase inhibitor PubMed PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 33900 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Duodenal Ulcer 4 D004381 ClinicalTrials
Cerebrovascular Disorders 3 D002561 ClinicalTrials
Esophagitis, Peptic 2 D004942 ClinicalTrials
Laryngopharyngeal Reflux 2 D057045 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 8769
ChEMBL CHEMBL1200930
EPA CompTox DTXSID3044205
FDA SRS 3L36P16U4R
KEGG C07865
SureChEMBL SCHEMBL140494
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