EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	KSE326Z112
EPA CompTox	DTXSID0041779

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

KSE326Z112

EPA CompTox

DTXSID0041779


InChI Key	IVHVNMLJNASKHW-UHFFFAOYSA-M
Smiles	[Cl-].CCCC[P+](CCCC)(CCCC)Cc1c(Cl)cc(Cl)cc1
InChI	InChI=1S/C19H32Cl2P/c1-4-7-12-22(13-8-5-2,14-9-6-3)16-17-10-11-18(20)15-19(17)21/h10-11,15H,4-9,12-14,16H2,1-3H3/q+1

InChI Key

IVHVNMLJNASKHW-UHFFFAOYSA-M

Smiles

[Cl-].CCCC[P+](CCCC)(CCCC)Cc1c(Cl)cc(Cl)cc1

InChI

InChI=1S/C19H32Cl2P/c1-4-7-12-22(13-8-5-2,14-9-6-3)16-17-10-11-18(20)15-19(17)21/h10-11,15H,4-9,12-14,16H2,1-3H3/q+1

Property Name	Value
Molecular Formula	C19H32Cl2P1
Molecular Weight	361.16
AlogP	7.91
Number of Rotational Bond	11.0
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C19H32Cl2P1

Molecular Weight

361.16

AlogP

7.91

Number of Rotational Bond

11.0

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	115-78-6
NORMAN SUSDAT
FDA SRS	KSE326Z112
PubChem	8286
ChemSpider	7985.0

Resources

Reference

CAS NUMBER

115-78-6

NORMAN SUSDAT

FDA SRS

KSE326Z112

PubChem

8286

ChemSpider

7985.0

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

CHLORPHONIUM CHLORIDE

Structure

Physicochemical Descriptors

Cross References