ESOMEPRAZOLE STRONTIUM

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Trade Names:
Synonyms:
Status: Approved (2013)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: C5N25H3803
Parent Compound: ESOMEPRAZOLE

Structure
InChI Key NCGHIAKEJNQSMS-QLGOZJDFSA-N
Smile COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.COc1ccc2[n-]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1.O.O.O.O.[Sr+2]
InChI
InChI=1S/2C17H18N3O3S.4H2O.Sr/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;4*1H2;/q2*-1;;;;;+2/t2*24-;;;;;/m00...../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H44N6O10S2Sr
Molecular Weight 848.51
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

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
50.0
Immune system disorders
50.0

Cross References

Resources Reference
ChEMBL CHEMBL2146140
FDA SRS C5N25H3803
PubChem 16048656
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