EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7WJ5RCL43M
EPA CompTox	DTXSID40215878

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7WJ5RCL43M

EPA CompTox

DTXSID40215878


InChI Key	CHCYHXIUMOKQRL-UHFFFAOYSA-N
Smiles	C1CNCc2ccccc2OCCOc2c(CNC1)cccc2
InChI	InChI=1S/C19H24N2O2/c1-3-8-18-16(6-1)14-20-10-5-11-21-15-17-7-2-4-9-19(17)23-13-12-22-18/h1-4,6-9,20-21H,5,10-15H2

InChI Key

CHCYHXIUMOKQRL-UHFFFAOYSA-N

Smiles

C1CNCc2ccccc2OCCOc2c(CNC1)cccc2

InChI

InChI=1S/C19H24N2O2/c1-3-8-18-16(6-1)14-20-10-5-11-21-15-17-7-2-4-9-19(17)23-13-12-22-18/h1-4,6-9,20-21H,5,10-15H2

Property Name	Value
Molecular Formula	C19H24N2O2
Molecular Weight	312.18
AlogP	2.73
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Polar Surface Area	42.52
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H24N2O2

Molecular Weight

312.18

AlogP

2.73

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Polar Surface Area

42.52

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	65639-43-2
NORMAN SUSDAT
FDA SRS	7WJ5RCL43M
PubChem	5070896
ChemSpider	4247654.0

Resources

Reference

CAS NUMBER

65639-43-2

NORMAN SUSDAT

FDA SRS

7WJ5RCL43M

PubChem

5070896

ChemSpider

4247654.0

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

6,7,8,9,10,11,17,18-OCTAHYDRO-5H-DIBENZO(E,N)(1,4,8,12)DIOXADIAZACYCLOPENTADECINE

Structure

Physicochemical Descriptors

Cross References