ESOMEPRAZOLE MAGNESIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (2001)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: 925R0D7W1O
Parent Compound: ESOMEPRAZOLE

Structure
InChI Key KWORUUGOSLYAGD-YPPDDXJESA-N
Smile COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.[Mg+2]
InChI
InChI=1S/2C17H18N3O3S.Mg/c2*1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h2*5-8H,9H2,1-4H3;/q2*-1;+2/t2*24-;/m00./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H36MgN6O6S2
Molecular Weight 713.14
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
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Helicobacter Infections 3 D016481 ClinicalTrials
Pancreatitis, Chronic 1 D050500 ClinicalTrials
Peptic Ulcer 1 D010437 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Renal and urinary disorders
24.49
Injury, poisoning and procedural complications
11.32
Gastrointestinal disorders
10.76
Musculoskeletal and connective tissue disorders
10.4
General disorders and administration site conditions
7.27
Metabolism and nutrition disorders
4.62
Respiratory, thoracic and mediastinal disorders
4.37
Nervous system disorders
4.29
Psychiatric disorders
3.6
Vascular disorders
3.29
Cardiac disorders
2.67
Investigations
2.45

Cross References

Resources Reference
ChEBI 50309
ChEMBL CHEMBL2146133
EPA CompTox DTXSID5044231
FDA SRS 925R0D7W1O
PubChem 21121303
SureChEMBL SCHEMBL144575
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