EcoDrugPlus


Synonyms	Azeloprazole
Status
Molecule Category	Free-form
UNII	MIR2G6L61B
EPA CompTox	DTXSID50241865


InChI Key	DWDKHTXMLSZGDL-SSEXGKCCSA-N
Smiles	Cc1cnc(C[S@@+]([O-])c2nc3ccccc3[nH]2)c(C)c1OCC1COC(C)(C)OC1
InChI	InChI=1S/C22H27N3O4S/c1-14-9-23-19(13-30(26)21-24-17-7-5-6-8-18(17)25-21)15(2)20(14)27-10-16-11-28-22(3,4)29-12-16/h5-9,16H,10-13H2,1-4H3,(H,24,25)/t30-/m1/s1

Property Name	Value
Molecular Formula	C22H27N3O4S
Molecular Weight	429.54
AlogP	3.66
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	86.33
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	30.0

Resources	Reference
CAS NUMBER	955095-45-1
ChEMBL	CHEMBL4300945
FDA SRS	MIR2G6L61B
PubChem	17747247
SureChEMBL	SCHEMBL4333414

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 27^th July 2026

AZELOPRAZOLE

Structure

Physicochemical Descriptors

Related Entries

Cross References