EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	4L8K79835D
EPA CompTox	DTXSID10965454

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

4L8K79835D

EPA CompTox

DTXSID10965454


InChI Key	QWNNGDMXFGRSPJ-UHFFFAOYSA-N
Smiles	[H+].[Cl-].[O-][N+](=O)c1oc(cc1)C2=CSC3=NCCN23
InChI	InChI=1S/C9H7N3O3S/c13-12(14)8-2-1-7(15-8)6-5-16-9-10-3-4-11(6)9/h1-2,5H,3-4H2

InChI Key

QWNNGDMXFGRSPJ-UHFFFAOYSA-N

Smiles

[H+].[Cl-].[O-][N+](=O)c1oc(cc1)C2=CSC3=NCCN23

InChI

InChI=1S/C9H7N3O3S/c13-12(14)8-2-1-7(15-8)6-5-16-9-10-3-4-11(6)9/h1-2,5H,3-4H2

Property Name	Value
Molecular Formula	C9H7N3O3S1
Molecular Weight	237.02
AlogP	1.9
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	2.0
Polar Surface Area	71.88
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C9H7N3O3S1

Molecular Weight

237.02

AlogP

1.9

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

2.0

Polar Surface Area

71.88

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	5118-17-2
NORMAN SUSDAT
FDA SRS	4L8K79835D

Resources

Reference

CAS NUMBER

5118-17-2

NORMAN SUSDAT

FDA SRS

4L8K79835D

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, 3 November 2025

FURAZOLIUM CHLORIDE

Structure

Physicochemical Descriptors

Cross References