EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
EPA CompTox	DTXSID80928172

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

EPA CompTox

DTXSID80928172


InChI Key	GHTNEJJXVUMOPX-UHFFFAOYSA-N
Smiles	[Cl-].ClC1=CC=C(C=C1)C2(OCC[NH+](CC)CC)CCCCC2
InChI	InChI=1/C18H28ClNO.ClH/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16;/h8-11H,3-7,12-15H2,1-2H3;1H

InChI Key

GHTNEJJXVUMOPX-UHFFFAOYSA-N

Smiles

[Cl-].ClC1=CC=C(C=C1)C2(OCC[NH+](CC)CC)CCCCC2

InChI

InChI=1/C18H28ClNO.ClH/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16;/h8-11H,3-7,12-15H2,1-2H3;1H

Property Name	Value
Molecular Formula	C18H28ClNO
Molecular Weight	345.16
AlogP	5.28
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	7.0
Polar Surface Area	12.47
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C18H28ClNO

Molecular Weight

345.16

AlogP

5.28

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

7.0

Polar Surface Area

12.47

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	13352-70-0
NORMAN SUSDAT
PubChem	25904

Resources

Reference

CAS NUMBER

13352-70-0

NORMAN SUSDAT

PubChem

25904

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

2-[[1-(4-CHLOROPHENYL)CYCLOHEXYL]OXY]ETHYL(DIETHYL)AMMONIUM CHLORIDE

Structure

Physicochemical Descriptors

Cross References