EcoDrugPlus


Synonyms	Azosemid Azosemide Diart Luret
Status
Molecule Category	Free-form
UNII	MR40VT1L8Z
EPA CompTox	DTXSID7046910

Synonyms

Azosemid

Azosemide

Diart

Luret

Status

Molecule Category

Free-form

UNII

MR40VT1L8Z

EPA CompTox

DTXSID7046910


InChI Key	HMEDEBAJARCKCT-UHFFFAOYSA-N
Smiles	NS(=O)(=O)c1cc(-c2nnn[nH]2)c(NCc2cccs2)cc1Cl
InChI	InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)

InChI Key

HMEDEBAJARCKCT-UHFFFAOYSA-N

Smiles

NS(=O)(=O)c1cc(-c2nnn[nH]2)c(NCc2cccs2)cc1Cl

InChI

InChI=1S/C12H11ClN6O2S2/c13-9-5-10(15-6-7-2-1-3-22-7)8(12-16-18-19-17-12)4-11(9)23(14,20)21/h1-5,15H,6H2,(H2,14,20,21)(H,16,17,18,19)

Property Name	Value
Molecular Formula	C12H11ClN6O2S2
Molecular Weight	370.85
AlogP	1.84
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	5.0
Polar Surface Area	126.65
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C12H11ClN6O2S2

Molecular Weight

370.85

AlogP

1.84

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

5.0

Polar Surface Area

126.65

Molecular species

ACID

Aromatic Rings

3.0

Heavy Atoms

23.0

Resources	Reference
ChEBI	31248
ChEMBL	CHEMBL1097235
DrugBank	DB08961
DrugCentral	278
FDA SRS	MR40VT1L8Z
Human Metabolome Database	HMDB0041831
PubChem	2273
SureChEMBL	SCHEMBL48976
ZINC	ZINC000005843546

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

Human Metabolome Database

PubChem

SureChEMBL

ZINC

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

AZOSEMIDE

Structure

Physicochemical Descriptors

Cross References