EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	ZU967BK3CP
EPA CompTox	DTXSID90934648

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

ZU967BK3CP

EPA CompTox

DTXSID90934648


InChI Key	XDCQNYYELACHOT-UHFFFAOYSA-M
Smiles	[Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CC=4C=CC=CC4C
InChI	InChI=1/C26H24P.BrH/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1

InChI Key

XDCQNYYELACHOT-UHFFFAOYSA-M

Smiles

[Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CC=4C=CC=CC4C

InChI

InChI=1/C26H24P.BrH/c1-22-13-11-12-14-23(22)21-27(24-15-5-2-6-16-24,25-17-7-3-8-18-25)26-19-9-4-10-20-26;/h2-20H,21H2,1H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C26H24P
Molecular Weight	446.08
AlogP	2.49
Number of Rotational Bond	5.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C26H24P

Molecular Weight

446.08

AlogP

2.49

Number of Rotational Bond

5.0

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	1530-36-5
NORMAN SUSDAT
FDA SRS	ZU967BK3CP
PubChem	197738

Resources

Reference

CAS NUMBER

1530-36-5

NORMAN SUSDAT

FDA SRS

ZU967BK3CP

PubChem

197738

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, 23^rd March 2026

(2-METHYLBENZYL)TRIPHENYLPHOSPHONIUM BROMIDE

Structure

Physicochemical Descriptors

Cross References