EcoDrugPlus


Synonyms	A02BC05 Emozul Esomeprazole Inexium paranova Nexium Nexium control Nexium i.v. Omeprazole s-form Omeprazole, (s)- Ventra
Status
Molecule Category	Free-form
ATC	A02BC05
UNII	N3PA6559FT
EPA CompTox	DTXSID4044292


InChI Key	SUBDBMMJDZJVOS-DEOSSOPVSA-N
Smiles	COc1ccc2[nH]c([S@@+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1
InChI	InChI=1S/C17H19N3O3S/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,(H,19,20)/t24-/m0/s1

Property Name	Value
Molecular Formula	C17H19N3O3S
Molecular Weight	345.42
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

Resources	Reference
ChEBI	50275
ChEMBL	CHEMBL1201320
DrugBank	DB00736
DrugCentral	1055
FDA SRS	N3PA6559FT
Human Metabolome Database	HMDB0014874
Guide to Pharmacology	5488
PubChem	9568614
SureChEMBL	SCHEMBL19535
ZINC	ZINC000004693574

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

ESOMEPRAZOLE

Structure

Physicochemical Descriptors

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