EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	SK0K75860M
EPA CompTox	DTXSID50904625

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

SK0K75860M

EPA CompTox

DTXSID50904625


InChI Key	CAONSVXWYFOHDJ-UHFFFAOYSA-M
Smiles	[Cl-].C=1C=CC(=C(C1)CCCCCCCCCCCCC)C[N+](C)(C)C
InChI	InChI=1/C23H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-18-22-19-16-17-20-23(22)21-24(2,3)4;/h16-17,19-20H,5-15,18,21H2,1-4H3;1H/q+1;/p-1

InChI Key

CAONSVXWYFOHDJ-UHFFFAOYSA-M

Smiles

[Cl-].C=1C=CC(=C(C1)CCCCCCCCCCCCC)C[N+](C)(C)C

InChI

InChI=1/C23H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-18-22-19-16-17-20-23(22)21-24(2,3)4;/h16-17,19-20H,5-15,18,21H2,1-4H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C23H42N
Molecular Weight	367.3
AlogP	3.75
Number of Rotational Bond	14.0
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C23H42N

Molecular Weight

367.3

AlogP

3.75

Number of Rotational Bond

14.0

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	1187753-48-5
NORMAN SUSDAT
FDA SRS	SK0K75860M
PubChem	20831822

Resources

Reference

CAS NUMBER

1187753-48-5

NORMAN SUSDAT

FDA SRS

SK0K75860M

PubChem

20831822

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

(DODECYLMETHYLBENZYL)TRIMETHYLAMMONIUM CHLORIDE

Structure

Physicochemical Descriptors

Cross References