EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form
UNII	97KU95HRS8
EPA CompTox	DTXSID90883581

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form

UNII

97KU95HRS8

EPA CompTox

DTXSID90883581


InChI Key	IKWKJIWDLVYZIY-UHFFFAOYSA-M
Smiles	[Br-].CCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
InChI	InChI=1S/C22H24P.BrH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1

InChI Key

IKWKJIWDLVYZIY-UHFFFAOYSA-M

Smiles

[Br-].CCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

InChI

InChI=1S/C22H24P.BrH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C22H24BrP
Molecular Weight	398.08
AlogP	1.78
Number of Rotational Bond	6.0
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C22H24BrP

Molecular Weight

398.08

AlogP

1.78

Number of Rotational Bond

6.0

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	1779-51-7
NORMAN SUSDAT
FDA SRS	97KU95HRS8
PubChem	159628

Resources

Reference

CAS NUMBER

1779-51-7

NORMAN SUSDAT

FDA SRS

97KU95HRS8

PubChem

159628

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...

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

Last update: Monday, 3 November 2025

PHOSPHONIUM, BUTYLTRIPHENYL-, BROMIDE

Structure

Physicochemical Descriptors

Cross References