EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	O341NY501N
EPA CompTox	DTXSID4022941

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

O341NY501N

EPA CompTox

DTXSID4022941


InChI Key	RYQOGSFEJBUZBX-UHFFFAOYSA-N
Smiles	CN(C)CCCN1c2ccccc2C(C)(C)c2ccccc12
InChI	InChI=1S/C20H26N2/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20/h5-8,10-13H,9,14-15H2,1-4H3

InChI Key

RYQOGSFEJBUZBX-UHFFFAOYSA-N

Smiles

CN(C)CCCN1c2ccccc2C(C)(C)c2ccccc12

InChI

InChI=1S/C20H26N2/c1-20(2)16-10-5-7-12-18(16)22(15-9-14-21(3)4)19-13-8-6-11-17(19)20/h5-8,10-13H,9,14-15H2,1-4H3

Property Name	Value
Molecular Formula	C20H26N2
Molecular Weight	294.21
AlogP	4.42
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	4.0
Polar Surface Area	6.48
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C20H26N2

Molecular Weight

294.21

AlogP

4.42

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

4.0

Polar Surface Area

6.48

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	4757-55-5
NORMAN SUSDAT
FDA SRS	O341NY501N
PubChem	94280
ChemSpider	85085.0

Resources

Reference

CAS NUMBER

4757-55-5

NORMAN SUSDAT

FDA SRS

O341NY501N

PubChem

94280

ChemSpider

85085.0

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

DIMETACRINE

Structure

Physicochemical Descriptors

Cross References