EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Salt-form
UNII	WM5533HY8L
EPA CompTox	DTXSID6051566

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Salt-form

UNII

WM5533HY8L

EPA CompTox

DTXSID6051566


InChI Key	USFRYJRPHFMVBZ-UHFFFAOYSA-M
Smiles	[Cl-].C(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChI	InChI=1S/C25H22P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/q+1

InChI Key

USFRYJRPHFMVBZ-UHFFFAOYSA-M

Smiles

[Cl-].C(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C25H22P/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/q+1

Property Name	Value
Molecular Formula	C25H22P1
Molecular Weight	353.15
AlogP	5.18
Number of Rotational Bond	5.0
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C25H22P1

Molecular Weight

353.15

AlogP

5.18

Number of Rotational Bond

5.0

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	1100-88-5
NORMAN SUSDAT
FDA SRS	WM5533HY8L
PubChem	70671
ChemSpider	63837.0

Resources

Reference

CAS NUMBER

1100-88-5

NORMAN SUSDAT

FDA SRS

WM5533HY8L

PubChem

70671

ChemSpider

63837.0

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, and Henri Xhaard. EcoDrugPLUS: An advanced database for drug target conservation analysis and environmental risk assessment. Nucleic Acid Research. In press.

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

BENZYLTRIPHENYLPHOSPHONIUM CHLORIDE

Structure

Physicochemical Descriptors

Cross References