EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Salt-form
UNII	2OQV5UAF87
EPA CompTox	DTXSID90935130

Keyword(s):

Human Metabolites

Molecule Category

Salt-form

UNII

2OQV5UAF87

EPA CompTox

DTXSID90935130


InChI Key	NSIFOGPAKNSGNW-UHFFFAOYSA-M
Smiles	[Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CCCCCCCCCCCC
InChI	InChI=1/C30H40P.BrH/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30;/h11-19,21-26H,2-10,20,27H2,1H3;1H/q+1;/p-1

InChI Key

NSIFOGPAKNSGNW-UHFFFAOYSA-M

Smiles

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

InChI

InChI=1/C30H40P.BrH/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30;/h11-19,21-26H,2-10,20,27H2,1H3;1H/q+1;/p-1

Property Name	Value
Molecular Formula	C30H40P
Molecular Weight	510.21
AlogP	4.91
Number of Rotational Bond	14.0
Heavy Atoms	32.0

Property Name

Value

Molecular Formula

C30H40P

Molecular Weight

510.21

AlogP

4.91

Number of Rotational Bond

14.0

Heavy Atoms

32.0

Resources	Reference
CAS NUMBER	15510-55-1
NORMAN SUSDAT
FDA SRS	2OQV5UAF87
PubChem	84955

Resources

Reference

CAS NUMBER

15510-55-1

NORMAN SUSDAT

FDA SRS

2OQV5UAF87

PubChem

84955

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

DODECYLTRIPHENYLPHOSPHONIUM BROMIDE

Structure

Physicochemical Descriptors

Cross References