EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	ZVW9Q60C29
EPA CompTox	DTXSID4041860

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

ZVW9Q60C29

EPA CompTox

DTXSID4041860


InChI Key	MQWVSQIVACGLLU-UHFFFAOYSA-M
Smiles	[Cl-].C=1C=CC(=CC1)C[N+](C)(CCCCCCCCCC)CCCCCCCCCC
InChI	InChI=1/C28H52N.ClH/c1-4-6-8-10-12-14-16-21-25-29(3,27-28-23-19-18-20-24-28)26-22-17-15-13-11-9-7-5-2;/h18-20,23-24H,4-17,21-22,25-27H2,1-3H3;1H/q+1;/p-1

InChI Key

MQWVSQIVACGLLU-UHFFFAOYSA-M

Smiles

[Cl-].C=1C=CC(=CC1)C[N+](C)(CCCCCCCCCC)CCCCCCCCCC

InChI

InChI=1/C28H52N.ClH/c1-4-6-8-10-12-14-16-21-25-29(3,27-28-23-19-18-20-24-28)26-22-17-15-13-11-9-7-5-2;/h18-20,23-24H,4-17,21-22,25-27H2,1-3H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C28H52N
Molecular Weight	437.38
AlogP	5.92
Number of Rotational Bond	20.0
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C28H52N

Molecular Weight

437.38

AlogP

5.92

Number of Rotational Bond

20.0

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	32426-10-1
NORMAN SUSDAT
FDA SRS	ZVW9Q60C29
PubChem	169424

Resources

Reference

CAS NUMBER

32426-10-1

NORMAN SUSDAT

FDA SRS

ZVW9Q60C29

PubChem

169424

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

BENZYLDIDECYLMETHYLAMMONIUM CHLORIDE

Structure

Physicochemical Descriptors

Cross References