EcoDrugPlus


Synonyms	Didecyldimethylammonium Chloride
Molecule Category	Salt-form
UNII	JXN40O9Y9B
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

Didecyldimethylammonium Chloride

Molecule Category

Salt-form

UNII

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	RUPBZQFQVRMKDG-UHFFFAOYSA-M
Smiles	[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChI	InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1

InChI Key

RUPBZQFQVRMKDG-UHFFFAOYSA-M

Smiles

[Cl-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC

InChI

InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C22H48N.Cl
Molecular Weight	362.08
AlogP	7.1
Number of Rotational Bond	18.0
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C22H48N.Cl

Molecular Weight

362.08

AlogP

7.1

Number of Rotational Bond

18.0

Heavy Atoms

23.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Gloeophyllum trabeum	-	-	-	-	100
Laetiporus sulphureus	-	-	-	-	100
Lenzites betulinus	-	-	-	-	100
Trametes versicolor	-	-	-	-	100

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Gloeophyllum trabeum

100

Laetiporus sulphureus

100

Lenzites betulinus

100

Trametes versicolor

100

Resources	Reference
ChEMBL	CHEMBL224987
FDA SRS	JXN40O9Y9B
PubChem	23558
SureChEMBL	SCHEMBL20265

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

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

DIDECYLDIMETHYLAMMONIUM CHLORIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References