ESOMEPRAZOLE STRONTIUM


Trade Names	ESOMEPRAZOLE STRONTIUM
Synonyms	Esomeprazole strontium FM-0F67 FM0F67 S-omeprazole strontium hydrate
Status
Molecule Category	Salt-form
UNII	C5N25H3803
Parent Compound:	ESOMEPRAZOLE


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	NCGHIAKEJNQSMS-QLGOZJDFSA-N
Smiles	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/c21-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;;;;;/h25-8H,9H2,1-4H3;41H2;/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

Bioactivity

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


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
ChEMBL	CHEMBL2146140
FDA SRS	C5N25H3803
PubChem	16048656

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).