EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	UEO8UW9V1Z
EPA CompTox	DTXSID40874489

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

UEO8UW9V1Z

EPA CompTox

DTXSID40874489


InChI Key	ZCKKHYXUQFTBIK-UHFFFAOYSA-N
Smiles	CCOC(=O)C=C1SC(N2CCCCC2)C(=O)N1C
InChI	InChI=1S/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3

InChI Key

ZCKKHYXUQFTBIK-UHFFFAOYSA-N

Smiles

CCOC(=O)C=C1SC(N2CCCCC2)C(=O)N1C

InChI

InChI=1S/C13H20N2O3S/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15/h9,13H,3-8H2,1-2H3

Property Name	Value
Molecular Formula	C13H20N2O3S1
Molecular Weight	284.12
AlogP	1.41
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	3.0
Polar Surface Area	49.85
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C13H20N2O3S1

Molecular Weight

284.12

AlogP

1.41

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

3.0

Polar Surface Area

49.85

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	73-09-6
NORMAN SUSDAT
FDA SRS	UEO8UW9V1Z
PubChem	6304
ChemSpider	4675409.0

Resources

Reference

CAS NUMBER

73-09-6

NORMAN SUSDAT

FDA SRS

UEO8UW9V1Z

PubChem

6304

ChemSpider

4675409.0

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

ETOZOLIN

Structure

Physicochemical Descriptors

Cross References