EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	FWQ4SF7GNM
EPA CompTox	DTXSID00885278

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

FWQ4SF7GNM

EPA CompTox

DTXSID00885278


InChI Key	FXDFJQRWOQTUJP-UHFFFAOYSA-M
Smiles	[Cl-].ClC1=CC=C(C=C1Cl)C[N+](C)(C)CCCCCCCCCCCCCC
InChI	InChI=1/C23H40Cl2N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-26(2,3)20-21-16-17-22(24)23(25)19-21;/h16-17,19H,4-15,18,20H2,1-3H3;1H/q+1;/p-1

InChI Key

FXDFJQRWOQTUJP-UHFFFAOYSA-M

Smiles

[Cl-].ClC1=CC=C(C=C1Cl)C[N+](C)(C)CCCCCCCCCCCCCC

InChI

InChI=1/C23H40Cl2N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-26(2,3)20-21-16-17-22(24)23(25)19-21;/h16-17,19H,4-15,18,20H2,1-3H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C23H40Cl2N
Molecular Weight	435.22
AlogP	5.27
Number of Rotational Bond	15.0
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C23H40Cl2N

Molecular Weight

435.22

AlogP

5.27

Number of Rotational Bond

15.0

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	24922-77-8
NORMAN SUSDAT
FDA SRS	FWQ4SF7GNM
PubChem	64681

Resources

Reference

CAS NUMBER

24922-77-8

NORMAN SUSDAT

FDA SRS

FWQ4SF7GNM

PubChem

64681

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...

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Last update: Monday, 3 November 2025

(3,4-DICHLOROBENZYL)DIMETHYLTETRADECYLAMMONIUM CHLORIDE

Structure

Physicochemical Descriptors

Cross References