EcoDrugPlus


Synonyms	H 168/68 SODIUM Losec sodium Omeprazole (as sodium) Omeprazole sodium
Status
Molecule Category	Salt-form
UNII	KV03YZ6QLW

Synonyms

H 168/68 SODIUM

Losec sodium

Omeprazole (as sodium)

Omeprazole sodium

Status

Molecule Category

Salt-form

UNII

KV03YZ6QLW


InChI Key	RYXPMWYHEBGTRV-UHFFFAOYSA-N
Smiles	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

InChI Key

RYXPMWYHEBGTRV-UHFFFAOYSA-N

Smiles

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

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

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

Resources	Reference
ChEBI	31934
ChEMBL	CHEMBL2105294
FDA SRS	KV03YZ6QLW
PubChem	10959536

Resources

Reference

ChEBI

ChEMBL

FDA SRS

PubChem

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...

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Last update: Monday, 3 November 2025

OMEPRAZOLE SODIUM

Structure

Physicochemical Descriptors

Cross References