EcoDrugPlus


Synonyms	Arelix Arlix HOE 118 HOE-118 Piretanide S 73 4118 S-73-4118 S-734118
Status
Molecule Category	Free-form
ATC	C03CA03
UNII	DQ6KK6GV93
EPA CompTox	DTXSID2023488


InChI Key	UJEWTUDSLQGTOA-UHFFFAOYSA-N
Smiles	NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1
InChI	InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23)

Property Name	Value
Molecular Formula	C17H18N2O5S
Molecular Weight	362.41
AlogP	2.42
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	109.93
Molecular species	ACID
Aromatic Rings	2.0
Heavy Atoms	25.0

Resources	Reference
ChEBI	32015
ChEMBL	CHEMBL349803
DrugBank	DB02925
DrugCentral	2201
FDA SRS	DQ6KK6GV93
Guide to Pharmacology	4742
PubChem	4849
SureChEMBL	SCHEMBL49473
ZINC	ZINC000003812930

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

PIRETANIDE

Structure

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