EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8U61G37Z20
EPA CompTox	DTXSID7031531

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8U61G37Z20

EPA CompTox

DTXSID7031531


InChI Key	WZKXBGJNNCGHIC-UHFFFAOYSA-N
Smiles	CN(C)c1ccc(cc1)C(c2ccccc2)c3ccc(cc3)N(C)C
InChI	InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3

InChI Key

WZKXBGJNNCGHIC-UHFFFAOYSA-N

Smiles

CN(C)c1ccc(cc1)C(c2ccccc2)c3ccc(cc3)N(C)C

InChI

InChI=1S/C23H26N2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,23H,1-4H3

Property Name	Value
Molecular Formula	C23H26N2
Molecular Weight	330.21
AlogP	5.0
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	6.48
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C23H26N2

Molecular Weight

330.21

AlogP

5.0

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

6.48

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	129-73-7
NORMAN SUSDAT
FDA SRS	8U61G37Z20
PubChem	67215
ChemSpider	60551.0

Resources

Reference

CAS NUMBER

129-73-7

NORMAN SUSDAT

FDA SRS

8U61G37Z20

PubChem

67215

ChemSpider

60551.0

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

LEUCOMALACHITE GREEN

Structure

Physicochemical Descriptors

Cross References