EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	P37G7BTX8V
EPA CompTox	DTXSID20191085

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

P37G7BTX8V

EPA CompTox

DTXSID20191085


InChI Key	NXJWVCHVPUCWJS-UHFFFAOYSA-N
Smiles	CCOC(=O)N1CCC(=O)N(c2ccccc2)c2c1ccc(Cl)c2
InChI	InChI=1S/C18H17ClN2O3/c1-2-24-18(23)20-11-10-17(22)21(14-6-4-3-5-7-14)16-12-13(19)8-9-15(16)20/h3-9,12H,2,10-11H2,1H3

InChI Key

NXJWVCHVPUCWJS-UHFFFAOYSA-N

Smiles

CCOC(=O)N1CCC(=O)N(c2ccccc2)c2c1ccc(Cl)c2

InChI

InChI=1S/C18H17ClN2O3/c1-2-24-18(23)20-11-10-17(22)21(14-6-4-3-5-7-14)16-12-13(19)8-9-15(16)20/h3-9,12H,2,10-11H2,1H3

Property Name	Value
Molecular Formula	C18H17Cl1N2O3
Molecular Weight	344.09
AlogP	4.37
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	49.85
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C18H17Cl1N2O3

Molecular Weight

344.09

AlogP

4.37

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

2.0

Polar Surface Area

49.85

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	37669-57-1
NORMAN SUSDAT
FDA SRS	P37G7BTX8V
PubChem	65803
ChemSpider	59219.0

Resources

Reference

CAS NUMBER

37669-57-1

NORMAN SUSDAT

FDA SRS

P37G7BTX8V

PubChem

65803

ChemSpider

59219.0

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

ARFENDAZAM

Structure

Physicochemical Descriptors

Cross References