ESOMEPRAZOLE SODIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (2005)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: L2C9GWQ43H
Parent Compound: ESOMEPRAZOLE

Structure
InChI Key RYXPMWYHEBGTRV-JIDHJSLPSA-N
Smile COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Na+]
InChI
InChI=1S/C17H18N3O3S.Na/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8H,9H2,1-4H3;/q-1;+1/t24-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18N3NaO3S
Molecular Weight 367.41
AlogP 2.9
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 77.1
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Potassium-transporting ATPase inhibitor DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gastroesophageal Reflux 4 D005764 ClinicalTrials
Peptic Ulcer 1 D010437 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
9.21
General disorders and administration site conditions
9.03
Skin and subcutaneous tissue disorders
8.41
Metabolism and nutrition disorders
7.72
Gastrointestinal disorders
6.07
Injury, poisoning and procedural complications
5.63
Investigations
5.58
Musculoskeletal and connective tissue disorders
5.56
Psychiatric disorders
5.38
Immune system disorders
5.15
Blood and lymphatic system disorders
4.73
Vascular disorders
4.71
Hepatobiliary disorders
3.76
Respiratory, thoracic and mediastinal disorders
3.76
Cardiac disorders
3.73
Renal and urinary disorders
3.7
Infections and infestations
2.47

Cross References

Resources Reference
ChEMBL CHEMBL1200470
FDA SRS L2C9GWQ43H
PubChem 23674541
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